=>> Building science/nwchem build started at Thu May 1 00:24:12 BST 2025 port directory: /usr/ports/science/nwchem package name: nwchem-7.2.3_2 building for: FreeBSD pkg-builder.dan.net.uk 14.2-RELEASE FreeBSD 14.2-RELEASE amd64 maintained by: yuri@FreeBSD.org Makefile datestamp: -rw-r--r-- 1 root wheel 4304 Jan 27 13:48 /usr/ports/science/nwchem/Makefile Ports top last git commit: 5529c5919b Ports top unclean checkout: yes Port dir last git commit: 6cce1f5b22 Port dir unclean checkout: no Poudriere version: poudriere-git-3.4.2 Host OSVERSION: 1402000 Jail OSVERSION: 1402000 Job Id: 04 ---Begin Environment--- SHELL=/bin/sh OSVERSION=1402000 UNAME_v=FreeBSD 14.2-RELEASE UNAME_r=14.2-RELEASE BLOCKSIZE=K MAIL=/var/mail/root MM_CHARSET=UTF-8 LANG=C.UTF-8 STATUS=1 HOME=/root PATH=/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin:/root/bin MAKE_OBJDIR_CHECK_WRITABLE=0 LOCALBASE=/usr/local USER=root POUDRIERE_NAME=poudriere-git LIBEXECPREFIX=/usr/local/libexec/poudriere POUDRIERE_VERSION=3.4.2 MASTERMNT=/usr/local/poudriere/data/.m/14-amd64-default-dan/ref LC_COLLATE=C POUDRIERE_BUILD_TYPE=bulk PACKAGE_BUILDING=yes SAVED_TERM=screen OUTPUT_REDIRECTED_STDERR=4 OUTPUT_REDIRECTED=1 PWD=/usr/local/poudriere/data/.m/14-amd64-default-dan/04/.p OUTPUT_REDIRECTED_STDOUT=3 P_PORTS_FEATURES=FLAVORS SUBPACKAGES SELECTED_OPTIONS MASTERNAME=14-amd64-default-dan SCRIPTPREFIX=/usr/local/share/poudriere SCRIPTNAME=bulk.sh OLDPWD=/usr/local/poudriere/data/.m/14-amd64-default-dan/ref/.p/pool POUDRIERE_PKGNAME=poudriere-git-3.4.2 SCRIPTPATH=/usr/local/share/poudriere/bulk.sh POUDRIEREPATH=/usr/local/bin/poudriere ---End Environment--- ---Begin Poudriere Port Flags/Env--- PORT_FLAGS= PKGENV= FLAVOR= MAKE_ARGS= ---End Poudriere Port Flags/Env--- ---Begin OPTIONS List--- ===> The following configuration options are available for nwchem-7.2.3_2: LIBXC=on: Use libxc PYTHON=on: Enable Python syntax in input files ====> BLAS_SIZE value to use during build (should be same as in devel/ga): you can only select none or one of them BLAS_SIZE_4=on: BLAS_SIZE=4 BLAS_SIZE_8=off: BLAS_SIZE=8 ====> MPI (Message Passing Interface) support: you can only select none or one of them NOMPI=off: MPI isn't used MPICH=on: Parallel processing support via MPICH OPENMPI=off: Parallel processing support via Open MPI ===> Use 'make config' to modify these settings ---End OPTIONS List--- --MAINTAINER-- yuri@FreeBSD.org --End MAINTAINER-- --CONFIGURE_ARGS-- --End CONFIGURE_ARGS-- --CONFIGURE_ENV-- F77="gfortran13" F90="gfortran13" FC="gfortran13" FFLAGS="-O -Wl,-rpath=/usr/local/lib/gcc13" F90FLAGS="-O -Wl,-rpath=/usr/local/lib/gcc13" FCFLAGS="-Wl,-rpath=/usr/local/lib/gcc13" MAKE=/usr/local/bin/gmake ac_cv_path_PERL=/usr/local/bin/perl ac_cv_path_PERL_PATH=/usr/local/bin/perl PERL_USE_UNSAFE_INC=1 PKG_CONFIG=pkgconf PYTHON="/usr/local/bin/python3.11" XDG_DATA_HOME=/wrkdirs/usr/ports/science/nwchem/work XDG_CONFIG_HOME=/wrkdirs/usr/ports/science/nwchem/work XDG_CACHE_HOME=/wrkdirs/usr/ports/science/nwchem/work/.cache HOME=/wrkdirs/usr/ports/science/nwchem/work TMPDIR="/tmp" PATH=/wrkdirs/usr/ports/science/nwchem/work/.bin:/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin:/root/bin PKG_CONFIG_LIBDIR=/wrkdirs/usr/ports/science/nwchem/work/.pkgconfig:/usr/local/libdata/pkgconfig:/usr/local/share/pkgconfig:/usr/libdata/pkgconfig SHELL=/bin/sh CONFIG_SHELL=/bin/sh --End CONFIGURE_ENV-- --MAKE_ENV-- USE_LIBXC=Y USE_MPI=Y PYTHONVERSION=3.11 NWCHEM_MODULES="all python" F77="gfortran13" F90="gfortran13" FC="gfortran13" FFLAGS="-O -Wl,-rpath=/usr/local/lib/gcc13" F90FLAGS="-O -Wl,-rpath=/usr/local/lib/gcc13" FCFLAGS="-Wl,-rpath=/usr/local/lib/gcc13" PERL_USE_UNSAFE_INC=1 XDG_DATA_HOME=/wrkdirs/usr/ports/science/nwchem/work XDG_CONFIG_HOME=/wrkdirs/usr/ports/science/nwchem/work XDG_CACHE_HOME=/wrkdirs/usr/ports/science/nwchem/work/.cache HOME=/wrkdirs/usr/ports/science/nwchem/work TMPDIR="/tmp" PATH=/wrkdirs/usr/ports/science/nwchem/work/.bin:/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin:/root/bin PKG_CONFIG_LIBDIR=/wrkdirs/usr/ports/science/nwchem/work/.pkgconfig:/usr/local/libdata/pkgconfig:/usr/local/share/pkgconfig:/usr/libdata/pkgconfig MK_DEBUG_FILES=no MK_KERNEL_SYMBOLS=no SHELL=/bin/sh NO_LINT=YES ADDR2LINE="/usr/local/bin/addr2line" AR="/usr/local/bin/ar" AS="/usr/local/bin/as" CPPFILT="/usr/local/bin/c++filt" GPROF="/usr/local/bin/gprof" LD="/usr/local/bin/ld" NM="/usr/local/bin/nm" OBJCOPY="/usr/local/bin/objcopy" OBJDUMP="/usr/local/bin/objdump" RANLIB="/usr/local/bin/ranlib" READELF="/usr/local/bin/readelf" SIZE="/usr/local/bin/size" STRINGS="/usr/local/bin/strings" PREFIX=/usr/local LOCALBASE=/usr/local CC="cc" CFLAGS="-O2 -pipe -fstack-protector-strong -fno-strict-aliasing " CPP="cpp" CPPFLAGS="" LDFLAGS=" -Wl,-rpath=/usr/local/lib/gcc13 -L/usr/local/lib/gcc13 -fstack-protector-strong " LIBS="" CXX="c++" CXXFLAGS="-O2 -pipe -fstack-protector-strong -fno-strict-aliasing " BSD_INSTALL_PROGRAM="install -s -m 555" BSD_INSTALL_LIB="install -s -m 0644" BSD_INSTALL_SCRIPT="install -m 555" BSD_INSTALL_DATA="install -m 0644" BSD_INSTALL_MAN="install -m 444" --End MAKE_ENV-- --PLIST_SUB-- PYTHON_INCLUDEDIR=include/python3.11 PYTHON_LIBDIR=lib/python3.11 PYTHON_PLATFORM=freebsd14 PYTHON_SITELIBDIR=lib/python3.11/site-packages PYTHON_SUFFIX=311 PYTHON_EXT_SUFFIX=.cpython-311 PYTHON_VER=3.11 PYTHON_VERSION=python3.11 PYTHON2="@comment " PYTHON3="" OSREL=14.2 PREFIX=%D LOCALBASE=/usr/local RESETPREFIX=/usr/local LIB32DIR=lib PERL_VERSION=5.36.3 PERL_VER=5.36 PERL5_MAN1=lib/perl5/site_perl/man/man1 PERL5_MAN3=lib/perl5/site_perl/man/man3 SITE_PERL=lib/perl5/site_perl SITE_ARCH=lib/perl5/site_perl/mach/5.36 DOCSDIR="share/doc/nwchem" EXAMPLESDIR="share/examples/nwchem" DATADIR="share/nwchem" WWWDIR="www/nwchem" ETCDIR="etc/nwchem" --End PLIST_SUB-- --SUB_LIST-- PYTHON_INCLUDEDIR=/usr/local/include/python3.11 PYTHON_LIBDIR=/usr/local/lib/python3.11 PYTHON_PLATFORM=freebsd14 PYTHON_SITELIBDIR=/usr/local/lib/python3.11/site-packages PYTHON_SUFFIX=311 PYTHON_EXT_SUFFIX=.cpython-311 PYTHON_VER=3.11 PYTHON_VERSION=python3.11 PYTHON2="@comment " PYTHON3="" PREFIX=/usr/local LOCALBASE=/usr/local DATADIR=/usr/local/share/nwchem DOCSDIR=/usr/local/share/doc/nwchem EXAMPLESDIR=/usr/local/share/examples/nwchem WWWDIR=/usr/local/www/nwchem ETCDIR=/usr/local/etc/nwchem --End SUB_LIST-- ---Begin make.conf--- USE_PACKAGE_DEPENDS=yes BATCH=yes WRKDIRPREFIX=/wrkdirs PORTSDIR=/usr/ports PACKAGES=/packages DISTDIR=/distfiles FORCE_PACKAGE=yes PACKAGE_BUILDING=yes PACKAGE_BUILDING_FLAVORS=yes #### #### CCACHE_CPP2=1 WITH_SSP_PORTS=yes WITH_SSP=yes #WITH_LTO=yes DISABLE_LICENSES=yes LICENSES_ACCEPTED=AGPLv3 APACHE10 APACHE11 APACHE20 ART10 ARTPERL10 ART20 BSD BSD2CLAUSE BSD3CLAUSE BSD4CLAUSE BSL CC0-1.0 CDDL ClArtistic EPL GFDL GMGPL GPLv1 GPLv2 GPLv3 GPLv3RLE ISCL LGPL20 LGPL21 LGPL3 LPPL10 LPPL11 LPPL12 LPPL13 LPPL13a LPPL13b LPPL13c MIT MPL OpenSSL OFL10 OFL11 OWL PostgreSQL PHP202 PHP30 PHP301 PSFL RUBY ZLIB ZPL21 SVM-Light EULA ALASIR Microsoft-exFAT SIMIAN UDEVGAME unknown MTA COMMERCIAL teamspeak NO_LICENSES_DIALOGS=yes #### #### NO_IGNORE=yes DEFAULT_VERSIONS+=ssl=openssl apache=2.4 imagemagick=7 java=21 linux=c7 mysql=8.0 php=8.3 samba=4.19 varnish=7 WITH_SETID_MODE=force PHP_ZTS=enabled OPTIONS_UNSET+=OPENJPEG OPTIONS_UNSET+=GSSAPI_BASE OPTIONS_SET+=ZTS OPTIONS_SET+=GSSAPI_NONE ALLOW_UNSUPPORTED_SYSTEM=yes WITH_CCACHE_BUILD=yes CCACHE_DIR=/root/.ccache #### Misc Poudriere #### .include "/etc/make.conf.ports_env" GID=0 UID=0 DISABLE_MAKE_JOBS=poudriere ---End make.conf--- --Resource limits-- cpu time (seconds, -t) unlimited file size (512-blocks, -f) unlimited data seg size (kbytes, -d) 33554432 stack size (kbytes, -s) 524288 core file size (512-blocks, -c) unlimited max memory size (kbytes, -m) unlimited locked memory (kbytes, -l) unlimited max user processes (-u) 89999 open files (-n) 8192 virtual mem size (kbytes, -v) unlimited swap limit (kbytes, -w) unlimited socket buffer size (bytes, -b) unlimited pseudo-terminals (-p) unlimited kqueues (-k) unlimited umtx shared locks (-o) unlimited pipebuf (-y) unlimited --End resource limits-- =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 =========================================================================== =================================================== ===== env: USE_PACKAGE_DEPENDS_ONLY=1 USER=root UID=0 GID=0 ===> nwchem-7.2.3_2 depends on file: /usr/local/sbin/pkg - not found ===> Installing existing package /packages/All/pkg-2.1.2.pkg [pkg-builder.dan.net.uk] Installing pkg-2.1.2... [pkg-builder.dan.net.uk] Extracting pkg-2.1.2: .......... done ===> nwchem-7.2.3_2 depends on file: /usr/local/sbin/pkg - found ===> Returning to build of nwchem-7.2.3_2 =========================================================================== =================================================== ===== env: USE_PACKAGE_DEPENDS_ONLY=1 USER=root UID=0 GID=0 =========================================================================== =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Fetching all distfiles required by nwchem-7.2.3_2 for building =========================================================================== =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Fetching all distfiles required by nwchem-7.2.3_2 for building => SHA256 Checksum OK for nwchem-7.2.3/nwchem-7.2.3-release.revision-d690e065-src.2024-08-27.tar.gz. => SHA256 Checksum OK for nwchem-7.2.3/dftd3.tgz. => SHA256 Checksum OK for nwchem-7.2.3/libxc-6.1.0.tar.gz. =========================================================================== =================================================== ===== env: USE_PACKAGE_DEPENDS_ONLY=1 USER=root UID=0 GID=0 =========================================================================== =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Fetching all distfiles required by nwchem-7.2.3_2 for building ===> Extracting for nwchem-7.2.3_2 => SHA256 Checksum OK for nwchem-7.2.3/nwchem-7.2.3-release.revision-d690e065-src.2024-08-27.tar.gz. => SHA256 Checksum OK for nwchem-7.2.3/dftd3.tgz. => SHA256 Checksum OK for nwchem-7.2.3/libxc-6.1.0.tar.gz. =========================================================================== =================================================== ===== env: USE_PACKAGE_DEPENDS_ONLY=1 USER=root UID=0 GID=0 =========================================================================== =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Patching for nwchem-7.2.3_2 =========================================================================== =================================================== ===== env: USE_PACKAGE_DEPENDS_ONLY=1 USER=root UID=0 GID=0 ===> nwchem-7.2.3_2 depends on executable: bash - not found ===> Installing existing package /packages/All/bash-5.2.37.pkg [pkg-builder.dan.net.uk] Installing bash-5.2.37... [pkg-builder.dan.net.uk] `-- Installing gettext-runtime-0.23.1... [pkg-builder.dan.net.uk] | `-- Installing indexinfo-0.3.1_1... [pkg-builder.dan.net.uk] | `-- Extracting indexinfo-0.3.1_1: . done [pkg-builder.dan.net.uk] `-- Extracting gettext-runtime-0.23.1: .......... done [pkg-builder.dan.net.uk] Extracting bash-5.2.37: .......... done ===> nwchem-7.2.3_2 depends on executable: bash - found ===> Returning to build of nwchem-7.2.3_2 ===> nwchem-7.2.3_2 depends on file: /usr/local/bin/cmake - not found ===> Installing existing package /packages/All/cmake-core-3.31.6.pkg [pkg-builder.dan.net.uk] Installing cmake-core-3.31.6... [pkg-builder.dan.net.uk] `-- Installing expat-2.7.1... [pkg-builder.dan.net.uk] `-- Extracting expat-2.7.1: .......... done [pkg-builder.dan.net.uk] `-- Installing jsoncpp-1.9.6_1... [pkg-builder.dan.net.uk] `-- Extracting jsoncpp-1.9.6_1: .......... done [pkg-builder.dan.net.uk] `-- Installing libidn2-2.3.8... [pkg-builder.dan.net.uk] | `-- Installing libunistring-1.3... [pkg-builder.dan.net.uk] | `-- Extracting libunistring-1.3: .......... done [pkg-builder.dan.net.uk] `-- Extracting libidn2-2.3.8: .......... done [pkg-builder.dan.net.uk] `-- Installing libuv-1.51.0... [pkg-builder.dan.net.uk] `-- Extracting libuv-1.51.0: .......... done [pkg-builder.dan.net.uk] `-- Installing openssl-3.0.16,1... [pkg-builder.dan.net.uk] `-- Extracting openssl-3.0.16,1: .......... done [pkg-builder.dan.net.uk] `-- Installing rhash-1.4.4_1... [pkg-builder.dan.net.uk] `-- Extracting rhash-1.4.4_1: .......... done [pkg-builder.dan.net.uk] Extracting cmake-core-3.31.6: .......... done ===> nwchem-7.2.3_2 depends on file: /usr/local/bin/cmake - found ===> Returning to build of nwchem-7.2.3_2 ===> nwchem-7.2.3_2 depends on executable: gfortran13 - not found ===> Installing existing package /packages/All/gcc13-13.3.0_2.pkg [pkg-builder.dan.net.uk] Installing gcc13-13.3.0_2... [pkg-builder.dan.net.uk] `-- Installing binutils-2.44,1... [pkg-builder.dan.net.uk] | `-- Installing zstd-1.5.7... [pkg-builder.dan.net.uk] | | `-- Installing liblz4-1.10.0,1... [pkg-builder.dan.net.uk] | | `-- Extracting liblz4-1.10.0,1: .......... done [pkg-builder.dan.net.uk] | `-- Extracting zstd-1.5.7: .......... done [pkg-builder.dan.net.uk] `-- Extracting binutils-2.44,1: .......... done [pkg-builder.dan.net.uk] `-- Installing gmp-6.3.0... [pkg-builder.dan.net.uk] `-- Extracting gmp-6.3.0: .......... done [pkg-builder.dan.net.uk] `-- Installing mpc-1.3.1_1... [pkg-builder.dan.net.uk] | `-- Installing mpfr-4.2.2,1... [pkg-builder.dan.net.uk] | `-- Extracting mpfr-4.2.2,1: .......... done [pkg-builder.dan.net.uk] `-- Extracting mpc-1.3.1_1: ...... done [pkg-builder.dan.net.uk] Extracting gcc13-13.3.0_2: .......... done ===== Message from gcc13-13.3.0_2: -- To ensure binaries built with this toolchain find appropriate versions of the necessary run-time libraries, you may want to link using -Wl,-rpath=/usr/local/lib/gcc13 For ports leveraging USE_GCC, USES=compiler, or USES=fortran this happens transparently. ===> nwchem-7.2.3_2 depends on executable: gfortran13 - found ===> Returning to build of nwchem-7.2.3_2 ===> nwchem-7.2.3_2 depends on package: gettext-runtime>=0.22_1 - found ===> nwchem-7.2.3_2 depends on package: gmake>=4.4.1 - not found ===> Installing existing package /packages/All/gmake-4.4.1.pkg [pkg-builder.dan.net.uk] Installing gmake-4.4.1... [pkg-builder.dan.net.uk] Extracting gmake-4.4.1: .......... done ===> nwchem-7.2.3_2 depends on package: gmake>=4.4.1 - found ===> Returning to build of nwchem-7.2.3_2 ===> nwchem-7.2.3_2 depends on package: pkgconf>=1.3.0_1 - not found ===> Installing existing package /packages/All/pkgconf-2.3.0_1,1.pkg [pkg-builder.dan.net.uk] Installing pkgconf-2.3.0_1,1... [pkg-builder.dan.net.uk] Extracting pkgconf-2.3.0_1,1: .......... done ===> nwchem-7.2.3_2 depends on package: pkgconf>=1.3.0_1 - found ===> Returning to build of nwchem-7.2.3_2 ===> nwchem-7.2.3_2 depends on file: /usr/local/bin/python3.11 - not found ===> Installing existing package /packages/All/python311-3.11.12.pkg [pkg-builder.dan.net.uk] Installing python311-3.11.12... [pkg-builder.dan.net.uk] `-- Installing libffi-3.4.8... [pkg-builder.dan.net.uk] `-- Extracting libffi-3.4.8: .......... done [pkg-builder.dan.net.uk] `-- Installing mpdecimal-4.0.0... [pkg-builder.dan.net.uk] `-- Extracting mpdecimal-4.0.0: .......... done [pkg-builder.dan.net.uk] `-- Installing readline-8.2.13_2... [pkg-builder.dan.net.uk] `-- Extracting readline-8.2.13_2: .......... done [pkg-builder.dan.net.uk] Extracting python311-3.11.12: .......... done ===== Message from python311-3.11.12: -- Note that some standard Python modules are provided as separate ports as they require additional dependencies. They are available as: py311-gdbm databases/py-gdbm@py311 py311-sqlite3 databases/py-sqlite3@py311 py311-tkinter x11-toolkits/py-tkinter@py311 ===> nwchem-7.2.3_2 depends on file: /usr/local/bin/python3.11 - found ===> Returning to build of nwchem-7.2.3_2 ===> nwchem-7.2.3_2 depends on file: /usr/local/bin/as - found ===> nwchem-7.2.3_2 depends on package: perl5>=5.36<5.37 - not found ===> Installing existing package /packages/All/perl5-5.36.3_3.pkg [pkg-builder.dan.net.uk] Installing perl5-5.36.3_3... [pkg-builder.dan.net.uk] Extracting perl5-5.36.3_3: .......... done ===> nwchem-7.2.3_2 depends on package: perl5>=5.36<5.37 - found ===> Returning to build of nwchem-7.2.3_2 ===> nwchem-7.2.3_2 depends on file: /usr/local/bin/ccache - not found ===> Installing existing package /packages/All/ccache-3.7.12_8.pkg [pkg-builder.dan.net.uk] Installing ccache-3.7.12_8... [pkg-builder.dan.net.uk] Extracting ccache-3.7.12_8: ......... done Create compiler links... create symlink for cc create symlink for cc (world) create symlink for c++ create symlink for c++ (world) create symlink for CC create symlink for CC (world) create symlink for gcc13 create symlink for gcc13 (world) create symlink for g++13 create symlink for g++13 (world) create symlink for cpp13 create symlink for cpp13 (world) create symlink for clang create symlink for clang (world) create symlink for clang++ create symlink for clang++ (world) ===== Message from ccache-3.7.12_8: -- NOTE: Please read /usr/local/share/doc/ccache/ccache-howto-freebsd.txt for information on using ccache with FreeBSD ports and src. ===> nwchem-7.2.3_2 depends on file: /usr/local/bin/ccache - found ===> Returning to build of nwchem-7.2.3_2 =========================================================================== =================================================== ===== env: USE_PACKAGE_DEPENDS_ONLY=1 USER=root UID=0 GID=0 ===> nwchem-7.2.3_2 depends on shared library: libblas.so - not found ===> Installing existing package /packages/All/blas-3.12.1.pkg [pkg-builder.dan.net.uk] Installing blas-3.12.1... [pkg-builder.dan.net.uk] Extracting blas-3.12.1: ..... done ===> nwchem-7.2.3_2 depends on shared library: libblas.so - found (/usr/local/lib/libblas.so) ===> Returning to build of nwchem-7.2.3_2 ===> nwchem-7.2.3_2 depends on shared library: libga.so - not found ===> Installing existing package /packages/All/ga-5.8.2_5.pkg [pkg-builder.dan.net.uk] Installing ga-5.8.2_5... [pkg-builder.dan.net.uk] `-- Installing lapack-3.12.1... [pkg-builder.dan.net.uk] `-- Extracting lapack-3.12.1: .......... done [pkg-builder.dan.net.uk] `-- Installing mpich-4.3.0... [pkg-builder.dan.net.uk] | `-- Installing hwloc2-2.11.2... [pkg-builder.dan.net.uk] | | `-- Installing level-zero-1.21.9... [pkg-builder.dan.net.uk] | | `-- Installing libfmt-10.2.1... [pkg-builder.dan.net.uk] | | `-- Extracting libfmt-10.2.1: .......... done [pkg-builder.dan.net.uk] | | `-- Installing spdlog-1.15.2... [pkg-builder.dan.net.uk] | | `-- Extracting spdlog-1.15.2: .......... done [pkg-builder.dan.net.uk] | | `-- Extracting level-zero-1.21.9: .......... done [pkg-builder.dan.net.uk] | | `-- Installing libpciaccess-0.18.1_1... [pkg-builder.dan.net.uk] | | `-- Installing hwdata-0.394,1... [pkg-builder.dan.net.uk] | | `-- Extracting hwdata-0.394,1: ...... done [pkg-builder.dan.net.uk] | | `-- Extracting libpciaccess-0.18.1_1: ..... done [pkg-builder.dan.net.uk] | | `-- Installing libxml2-2.11.9... [pkg-builder.dan.net.uk] | | `-- Extracting libxml2-2.11.9: .......... done [pkg-builder.dan.net.uk] | `-- Extracting hwloc2-2.11.2: .......... done [pkg-builder.dan.net.uk] | `-- Installing json-c-0.18... [pkg-builder.dan.net.uk] | `-- Extracting json-c-0.18: .......... done [pkg-builder.dan.net.uk] | `-- Installing libepoll-shim-0.0.20240608... [pkg-builder.dan.net.uk] | `-- Extracting libepoll-shim-0.0.20240608: .......... done [pkg-builder.dan.net.uk] | `-- Installing libfabric-1.15.1_4... [pkg-builder.dan.net.uk] | `-- Extracting libfabric-1.15.1_4: .......... done [pkg-builder.dan.net.uk] `-- Extracting mpich-4.3.0: .......... done [pkg-builder.dan.net.uk] `-- Installing scalapack-2.2.2... [pkg-builder.dan.net.uk] | `-- Installing openblas-0.3.29_1,2... [pkg-builder.dan.net.uk] | `-- Extracting openblas-0.3.29_1,2: .......... done [pkg-builder.dan.net.uk] `-- Extracting scalapack-2.2.2: .......... done [pkg-builder.dan.net.uk] Extracting ga-5.8.2_5: .......... done ===== Message from scalapack-2.2.2: -- Please test your scalapack installation Example programs are located at /usr/local/share/examples/SCALAPACK Test programs are located at /usr/local/share/SCALAPACK/TESTING Example: % cd /usr/local/share/SCALAPACK/TESTING % /usr/local/bin/mpirun -np 4 ./xcbrd % /usr/local/bin/mpirun -np 4 ./xcdblu etc., etc. ... to perform all the tests, % cd /usr/local/share/SCALAPACK/TESTING % csh % foreach i (x*) ? /usr/local/bin/mpirun -np 4 ./$i >& ~/$i.log ? end % /usr/local/bin/mpdallexit If you're using OpenMPI, use this instead: % cd /usr/local/share/SCALAPACK/TESTING % LD_LIBRARY_PATH=/usr/local/mpi/openmpi/lib/ export LD_LIBRARY_PATH % PATH=$PATH:/usr/local/mpi/openmpi/bin/ export PATH % mpirun -np 4 ./xcbrd % mpirun -np 4 ./xcdblu etc., etc. ... You can change -np 4 to any number to meet your environment. See files at /usr/local/share/doc/scalapack for detail. ===> nwchem-7.2.3_2 depends on shared library: libga.so - found (/usr/local/lib/libga.so) ===> Returning to build of nwchem-7.2.3_2 ===> nwchem-7.2.3_2 depends on shared library: libhwloc.so - found (/usr/local/lib/libhwloc.so) ===> nwchem-7.2.3_2 depends on shared library: libmpich.so - found (/usr/local/lib/libmpich.so) ===> nwchem-7.2.3_2 depends on shared library: libintl.so - found (/usr/local/lib/libintl.so) =========================================================================== =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Configuring for nwchem-7.2.3_2 =========================================================================== =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Building for nwchem-7.2.3_2 gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src' /usr/local/bin/gmake -C config -f make_nwchem_config NWCHEM_MODULES="all python" bash: line 1: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tools/install/bin/ga-config: No such file or directory bash: line 1: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tools/install/bin/ga-config: No such file or directory echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: all python" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: all python" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F /usr/local/bin/gmake -C config -f make_nwchem_config NWCHEM_MODULES="all python" bash: line 1: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tools/install/bin/ga-config: No such file or directory bash: line 1: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tools/install/bin/ga-config: No such file or directory echo \# This configuration generated automatically on \ `hostname` at `date` > nwchem_config.h echo "# Request modules from user: all python" >> nwchem_config.h echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo "CONFIG_LIBS = " >> nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG echo "# Request modules from user: all python" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf >> NWCHEM_CONFIG echo corresponding to these libraries: >> NWCHEM_CONFIG echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd -lcons -lcphf -ldangchang -lddscf -ldimqm -ldntmc -ldplot -ldrdy -ldriver -lesp -letrans -lfcidump -lpfft -lgradients -lgwmol -lhessian -lmcscf -lmm -lmoints -lmp2 -lnwdft -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -loptim -lperfm -lprepar -lproperty -lnwpython -lqhop -lqmd -lqmmm -lrimp2 -lselci -lsolvation -lspace -lstepper -lnwcutil -ltce -lvib -lvscf >> NWCHEM_CONFIG echo >> NWCHEM_CONFIG echo The following directories are excluded from the build: >> NWCHEM_CONFIG echo develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb >> NWCHEM_CONFIG echo and these routines will be replaced by stubs: >> NWCHEM_CONFIG echo argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input >> NWCHEM_CONFIG echo "No extra configuration libraries were added " >> NWCHEM_CONFIG cp census.skeleton ../stubs.F for routine in argos argos_input crossing debtest dia_input diana gasdev geninterface jantest jvltest jvltest2 kgdtest leps_energy leps_gradient lucia mc_data mc_driver mc_init mc_main md_data md_driver md_set moints_screen mymc_input mymd_input nbo_input nwxc_eval_df nwxc_eval_df2 nwxc_eval_df3 nwxc_get_cam nwxc_get_disp nwxc_getvals nwxc_getwght nwxc_has_2nd nwxc_has_cam nwxc_has_disp nwxc_has_hfx nwxc_has_mp2c nwxc_has_xc nwxc_init nwxc_input nwxc_is_gga nwxc_is_lda nwxc_is_mgga nwxc_is_on nwxc_print nwxc_print_nwpw nwxc_reset_rho_tolerance nwxc_rtdb_delete nwxc_rtdb_load nwxc_rtdb_store nwxc_vdw3_dftd3 nwxc_wght_hfx nwxc_wght_mp2c raktest rimp2g rism_input rjhtest smd_input task_fragment_energy task_nbo task_rism task_smd task_smd_dynamics task_smd_energy task_smd_fragment uccsdt uccsdtest urand wfn1_input wfn1_task_energy xtb_energy xtb_energy_gradient xtb_input; do \ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done cp util_module_avail_F.begin ../util/util_module_avail.F echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done cat util_module_avail_F.end >> ../util/util_module_avail.F gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src' test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64 || mkdir -p /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64 test -d /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64 || mkdir -p /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64 ./util/util_nwchem_version.bash Making libraries in blas gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/blas' ( cd /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/config; /usr/local/bin/gmake /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x ; ) gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/config' gcc -g -o /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x depend.c /bin/rm -f depend.o gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/config' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/blas' Compiling double/dasum.f... Compiling double/daxpy.f... Compiling double/dcopy.f... Compiling double/ddot.f... Compiling double/dgemm.F... Compiling double/dgemv.f... Compiling double/dger.f... Compiling double/dnrm2.f... Compiling double/drot.f... Compiling double/dscal.f... Compiling double/dspmv.f... Compiling double/dspr.f... double/dspr.f:152:36: 152 | INTEGER I,INFO,IX,J,JX,K,KK,KX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/dswap.f... Compiling double/dsymm.f... Compiling double/dsymv.f... Compiling double/dsyr2.f... double/dsyr2.f:172:31: 172 | INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY | ^ Warning: 'jx' may be used uninitialized [-Wmaybe-uninitialized] double/dsyr2.f:172:34: 172 | INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY | ^ Warning: 'jy' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/dsyr2k.f... Compiling double/dsyrk.f... Compiling double/dtrmm.f... Compiling double/dtrmv.f... double/dtrmv.f:171:31: 171 | INTEGER I,INFO,IX,J,JX,KX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/dtrsm.f... Compiling double/dtrsv.f... double/dtrsv.f:317:72: 317 | KX = KX + (N-1)*INCX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] double/dtrsv.f:167:31: 167 | INTEGER I,INFO,IX,J,JX,KX | ^ note: 'kx' was declared here Compiling double/dznrm2.f... Compiling double/idamax.f... Compiling double/izamax.f... Compiling double/drotg.f... Compiling double/lsame.f... Compiling double/zaxpy.f... Compiling double/dcabs1.f... Compiling double/zcopy.f... Compiling double/zdrot.f... Compiling double/zrotg.f... Compiling double/zdotc.f... Compiling double/zdscal.f... Compiling double/zgemm.f... Compiling double/zgemv.f... Compiling double/zgerc.f... Compiling double/zhemm.f... Compiling double/zhemv.f... Compiling double/zher2.f... double/zher2.f:175:31: 175 | INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY | ^ Warning: 'jx' may be used uninitialized [-Wmaybe-uninitialized] double/zher2.f:175:34: 175 | INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY | ^ Warning: 'jy' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/zher2k.f... Compiling double/zherk.f... Compiling double/zscal.f... Compiling double/zswap.f... Compiling double/ztrmm.f... Compiling double/ztrmv.f... double/ztrmv.f:306:72: 306 | JX = KX + (N-1)*INCX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] double/ztrmv.f:171:31: 171 | INTEGER I,INFO,IX,J,JX,KX | ^ note: 'kx' was declared here Compiling double/ztrsm.f... Compiling double/ztrsv.f... double/ztrsv.f:346:72: 346 | KX = KX + (N-1)*INCX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] double/ztrsv.f:173:31: 173 | INTEGER I,INFO,IX,J,JX,KX | ^ note: 'kx' was declared here Compiling double/zsyrk.f... Compiling double/zsyr2k.f... Compiling double/zsymm.f... Compiling double/zher.f... double/zher.f:160:31: 160 | INTEGER I,INFO,IX,J,JX,KX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/xerbla.F... Compiling double/zgeru.f... Compiling double/dzasum.f... Compiling double/dsyr.f... double/dsyr.f:157:31: 157 | INTEGER I,INFO,IX,J,JX,KX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/zdotu.f... Compiling single/sasum.f... Compiling single/saxpy.f... Compiling single/scopy.f... Compiling single/sdot.f... Compiling single/sgemm.f... Compiling single/sgemv.f... Compiling single/sger.f... Compiling single/snrm2.f... Compiling single/srot.f... Compiling single/sscal.f... Compiling single/sspmv.f... Compiling single/sspr.f... single/sspr.f:152:36: 152 | INTEGER I,INFO,IX,J,JX,K,KK,KX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] Compiling single/sswap.f... Compiling single/ssymm.f... Compiling single/ssymv.f... Compiling single/ssyr2.f... single/ssyr2.f:172:31: 172 | INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY | ^ Warning: 'jx' may be used uninitialized [-Wmaybe-uninitialized] single/ssyr2.f:172:34: 172 | INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY | ^ Warning: 'jy' may be used uninitialized [-Wmaybe-uninitialized] Compiling single/ssyr2k.f... Compiling single/ssyrk.f... Compiling single/strmm.f... Compiling single/strmv.f... single/strmv.f:171:31: 171 | INTEGER I,INFO,IX,J,JX,KX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] Compiling single/strsm.f... Compiling single/strsv.f... single/strsv.f:323:72: 323 | KX = KX + (N-1)*INCX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] single/strsv.f:173:31: 173 | INTEGER I,INFO,IX,J,JX,KX | ^ note: 'kx' was declared here Compiling single/scnrm2.f... Compiling single/isamax.f... Compiling single/scabs1.f... Compiling single/caxpy.f... Compiling single/ccopy.f... Compiling single/csrot.f... Compiling single/icamax.f... Compiling single/cdotc.f... Compiling single/csscal.f... Compiling single/cgemm.f... Compiling single/cgemv.f... Compiling single/cgerc.f... Compiling single/chemm.f... Compiling single/chemv.f... Compiling single/cher2.f... single/cher2.f:175:31: 175 | INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY | ^ Warning: 'jx' may be used uninitialized [-Wmaybe-uninitialized] single/cher2.f:175:34: 175 | INTEGER I,INFO,IX,IY,J,JX,JY,KX,KY | ^ Warning: 'jy' may be used uninitialized [-Wmaybe-uninitialized] Compiling single/cher2k.f... Compiling single/cherk.f... Compiling single/cscal.f... Compiling single/cswap.f... Compiling single/ctrmm.f... Compiling single/ctrmv.f... single/ctrmv.f:306:72: 306 | JX = KX + (N-1)*INCX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] single/ctrmv.f:171:31: 171 | INTEGER I,INFO,IX,J,JX,KX | ^ note: 'kx' was declared here Compiling single/ctrsm.f... Compiling single/ctrsv.f... single/ctrsv.f:346:72: 346 | KX = KX + (N-1)*INCX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] single/ctrsv.f:173:31: 173 | INTEGER I,INFO,IX,J,JX,KX | ^ note: 'kx' was declared here Compiling single/cgeru.f... Compiling single/scasum.f... Compiling single/cdotu.f... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/blas' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/blas' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcblas.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcblas.a dasum.o daxpy.o dcopy.o ddot.o dgemm.o dgemv.o dger.o dnrm2.o drot.o dscal.o dspmv.o dspr.o dswap.o dsymm.o dsymv.o dsyr2.o dsyr2k.o dsyrk.o dtrmm.o dtrmv.o dtrsm.o dtrsv.o dznrm2.o idamax.o izamax.o drotg.o lsame.o zaxpy.o dcabs1.o zcopy.o zdrot.o zrotg.o zdotc.o zdscal.o zgemm.o zgemv.o zgerc.o zhemm.o zhemv.o zher2.o zher2k.o zherk.o zscal.o zswap.o ztrmm.o ztrmv.o ztrsm.o ztrsv.o zsyrk.o zsyr2k.o zsymm.o zher.o xerbla.o zgeru.o dzasum.o dsyr.o zdotu.o sasum.o saxpy.o scopy.o sdot.o sgemm.o sgemv.o sger.o snrm2.o srot.o sscal.o sspmv.o sspr.o sswap.o ssymm.o ssymv.o ssyr2.o ssyr2k.o ssyrk.o strmm.o strmv.o strsm.o strsv.o scnrm2.o isamax.o scabs1.o caxpy.o ccopy.o csrot.o icamax.o cdotc.o csscal.o cgemm.o cgemv.o cgerc.o chemm.o chemv.o cher2.o cher2k.o cherk.o cscal.o cswap.o ctrmm.o ctrmv.o ctrsm.o ctrsv.o cgeru.o scasum.o cdotu.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcblas.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcblas.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcblas.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/blas' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/blas' Making libraries in lapack gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/lapack' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp Compiling double/dlamch.f... Compiling double/dlaisnan.f... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/lapack' Compiling double/dbdsqr.f... Compiling double/dgebd2.f... Compiling double/dgebrd.f... Compiling double/dgelq2.f... Compiling double/dgelqf.f... Compiling double/dgeqr2.f... Compiling double/dgeqrf.f... Compiling double/dgesv.f... Compiling double/dgesvd.f... double/dgesvd.f:3196:21: 3196 | IF( LWORK.GE.M*M+MAX( N+M, 4*M, BDSPAC ) ) THEN | ^ Warning: 'bdspac' may be used uninitialized [-Wmaybe-uninitialized] double/dgesvd.f:237:31: 237 | INTEGER BDSPAC, BLK, CHUNK, I, IE, IERR, IR, ISCL, | ^ note: 'bdspac' was declared here double/dgesvd.f:2063:12: 2063 | IF( N.GE.MNTHR ) THEN | ^ Warning: 'mnthr' may be used uninitialized [-Wmaybe-uninitialized] double/dgesvd.f:239:53: 239 | $ MAXWRK, MINMN, MINWRK, MNTHR, NCU, NCVT, NRU, | ^ note: 'mnthr' was declared here double/dgesvd.f:3201:24: 3201 | IF( LWORK.GE.WRKBL+LDA*M ) THEN | ^ Warning: 'wrkbl' may be used uninitialized [-Wmaybe-uninitialized] double/dgesvd.f:240:36: 240 | $ NRVT, WRKBL | ^ note: 'wrkbl' was declared here double/dgesvd.f:3456:12: 3456 | IF( IE.GT.2 ) THEN | ^ Warning: 'ie' may be used uninitialized [-Wmaybe-uninitialized] double/dgesvd.f:237:50: 237 | INTEGER BDSPAC, BLK, CHUNK, I, IE, IERR, IR, ISCL, | ^ note: 'ie' was declared here Compiling double/dgetf2.f... Compiling double/dgetrf.f... Compiling double/dgetrs.f... Compiling double/disnan.f... Compiling double/dlahr2.f... double/dlahr2.f:305:72: 305 | A( K+NB, NB ) = EI | ^ Warning: 'ei' may be used uninitialized [-Wmaybe-uninitialized] double/dlahr2.f:206:26: 206 | DOUBLE PRECISION EI | ^ note: 'ei' was declared here Compiling double/dlaqr0.f... double/dlaqr0.f:497:72: 497 | NDEC = NDEC + 1 | ^ Warning: 'ndec' may be used uninitialized [-Wmaybe-uninitialized] double/dlaqr0.f:306:37: 306 | $ LWKOPT, NDEC, NDFL, NH, NHO, NIBBLE, NMIN, NS, | ^ note: 'ndec' was declared here Compiling double/dlabrd.f... Compiling double/dlacon.f... Compiling double/dlacpy.f... Compiling double/dladiv.f... Compiling double/dlae2.f... Compiling double/dlaev2.f... Compiling double/dlaexc.f... Compiling double/dlagtf.f... Compiling double/dlagts.f... Compiling double/dgels.F... Compiling double/dlange.f... double/dlange.f:138:42: 138 | DOUBLE PRECISION SCALE, SUM, VALUE, TEMP | ^ Warning: 'value' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/dlansp.f... double/dlansp.f:138:48: 138 | DOUBLE PRECISION ABSA, SCALE, SUM, VALUE | ^ Warning: 'value' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/dtrti2.f... Compiling double/dlanst.f... double/dlanst.f:124:30: 124 | DOUBLE PRECISION ANORM, SCALE, SUM | ^ Warning: 'anorm' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/dlansy.f... double/dlansy.f:146:48: 146 | DOUBLE PRECISION ABSA, SCALE, SUM, VALUE | ^ Warning: 'value' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/dlapy2.f... Compiling double/dlapy3.f... Compiling double/dlarf.f... Compiling double/dlarfb.f... Compiling double/dlarfg.f... Compiling double/dlarft.f... Compiling double/dlarnv.f... Compiling double/dlartg.f... Compiling double/dlaruv.f... double/dlaruv.f:121:47: 121 | INTEGER I, I1, I2, I3, I4, IT1, IT2, IT3, IT4, J | ^ Warning: 'it1' may be used uninitialized [-Wmaybe-uninitialized] double/dlaruv.f:121:52: 121 | INTEGER I, I1, I2, I3, I4, IT1, IT2, IT3, IT4, J | ^ Warning: 'it2' may be used uninitialized [-Wmaybe-uninitialized] double/dlaruv.f:121:57: 121 | INTEGER I, I1, I2, I3, I4, IT1, IT2, IT3, IT4, J | ^ Warning: 'it3' may be used uninitialized [-Wmaybe-uninitialized] double/dlaruv.f:121:62: 121 | INTEGER I, I1, I2, I3, I4, IT1, IT2, IT3, IT4, J | ^ Warning: 'it4' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/dlas2.f... Compiling double/dlasy2.f... double/dlasy2.f:420:12: 420 | IF( IPSV.NE.I ) THEN | ^ Warning: 'ipsv' may be used uninitialized [-Wmaybe-uninitialized] double/dlasy2.f:202:42: 202 | INTEGER I, IP, IPIV, IPSV, J, JP, JPSV, K | ^ note: 'ipsv' was declared here double/dlasy2.f:426:13: 426 | IF( JPSV.NE.I ) | ^ Warning: 'jpsv' may be used uninitialized [-Wmaybe-uninitialized] double/dlasy2.f:202:55: 202 | INTEGER I, IP, IPIV, IPSV, J, JP, JPSV, K | ^ note: 'jpsv' was declared here Compiling double/dlacn2.f... Compiling double/dlaqr1.f... Compiling double/dlaqr2.f... Compiling double/dlaqr3.f... Compiling double/dlaqr4.f... double/dlaqr4.f:503:72: 503 | NDEC = NDEC + 1 | ^ Warning: 'ndec' may be used uninitialized [-Wmaybe-uninitialized] double/dlaqr4.f:312:37: 312 | $ LWKOPT, NDEC, NDFL, NH, NHO, NIBBLE, NMIN, NS, | ^ note: 'ndec' was declared here Compiling double/dlaqr5.f... Compiling double/dlascl.f... Compiling double/dlaset.f... Compiling double/dlasr.f... Compiling double/dlasrt.f... Compiling double/dlassq.f... Compiling double/dlasv2.f... Compiling double/dlaswp.f... Compiling double/dlatrd.f... Compiling double/dlauu2.f... Compiling double/dlauum.f... Compiling double/dorg2l.f... Compiling double/dorg2r.f... Compiling double/dormhr.f... Compiling double/dgtsv.f... Compiling double/dorgbr.f... Compiling double/dorgl2.f... Compiling double/dorglq.f... Compiling double/dorgql.f... double/dorgql.f:210:23: 210 | IF( NB.GT.1 .AND. NB.LT.K ) THEN | ^ Warning: 'nb' may be used uninitialized [-Wmaybe-uninitialized] double/dorgql.f:152:27: 152 | $ NB, NBMIN, NX | ^ note: 'nb' was declared here Compiling double/dorgqr.f... Compiling double/dorgtr.f... Compiling double/dorm2r.f... Compiling double/dormbr.f... Compiling double/dorml2.f... Compiling double/dormlq.f... Compiling double/dormqr.f... Compiling double/dpotf2.f... Compiling double/dpotrf.f... Compiling double/dpotri.f... Compiling double/dspcon.f... Compiling double/dsprfs.f... Compiling double/dspsvx.f... Compiling double/dsptrf.f... Compiling double/dsptrs.f... Compiling double/dsteqr.f... Compiling double/dsterf.f... Compiling double/dsyev.f... Compiling double/dsygs2.f... Compiling double/dsygst.f... Compiling double/dsysv.f... double/dsysv.f:2367:18: 2367 | IF( IMAX.LT.N ) THEN | ^ Warning: 'imax' may be used uninitialized [-Wmaybe-uninitialized] double/dsysv.f:2107:32: 2107 | INTEGER I, IMAX, J, JMAX, K, KK, KP, KSTEP | ^ note: 'imax' was declared here Compiling double/dsygv.f... Compiling double/dsytd2.f... Compiling double/dsytrd.f... Compiling double/dtrexc.f... Compiling double/dtrtri.f... Compiling double/dlasq1.f... Compiling double/dlasq2.f... Compiling double/dlasq3.f... Compiling double/dlasq5.f... Compiling double/dlasq4.f... double/dlasq4.f:420:72: 420 | TAU = S | ^ Warning: 's' may be used uninitialized [-Wmaybe-uninitialized] double/dlasq4.f:180:55: 180 | DOUBLE PRECISION A2, B1, B2, GAM, GAP1, GAP2, S | ^ note: 's' was declared here Compiling double/dlasq6.f... Compiling double/dposv.f... Compiling double/dtrtrs.f... Compiling double/dpotrs.f... Compiling double/dlaebz.f... Compiling double/dstedc.f... Compiling double/dlaed0.f... double/dlaed0.f:386:72: 386 | $ IWORK( SUBPBS+1 ), INFO ) | ^ Warning: 'igivcl' may be used uninitialized [-Wmaybe-uninitialized] double/dlaed0.f:196:56: 196 | INTEGER CURLVL, CURPRB, CURR, I, IGIVCL, IGIVNM, | ^ note: 'igivcl' was declared here double/dlaed0.f:197:31: 197 | $ IGIVPT, INDXQ, IPERM, IPRMPT, IQ, IQPTR, IWREM, | ^ Warning: 'igivpt' may be used uninitialized [-Wmaybe-uninitialized] double/dlaed0.f:386:72: 386 | $ IWORK( SUBPBS+1 ), INFO ) | ^ Warning: 'iperm' may be used uninitialized [-Wmaybe-uninitialized] double/dlaed0.f:197:45: 197 | $ IGIVPT, INDXQ, IPERM, IPRMPT, IQ, IQPTR, IWREM, | ^ note: 'iperm' was declared here double/dlaed0.f:197:53: 197 | $ IGIVPT, INDXQ, IPERM, IPRMPT, IQ, IQPTR, IWREM, | ^ Warning: 'iprmpt' may be used uninitialized [-Wmaybe-uninitialized] double/dlaed0.f:324:72: 324 | $ INFO ) | ^ Warning: 'iq' may be used uninitialized [-Wmaybe-uninitialized] double/dlaed0.f:197:57: 197 | $ IGIVPT, INDXQ, IPERM, IPRMPT, IQ, IQPTR, IWREM, | ^ note: 'iq' was declared here double/dlaed0.f:324:72: 324 | $ INFO ) | ^ Warning: 'iqptr' may be used uninitialized [-Wmaybe-uninitialized] double/dlaed0.f:197:64: 197 | $ IGIVPT, INDXQ, IPERM, IPRMPT, IQ, IQPTR, IWREM, | ^ note: 'iqptr' was declared here double/dlaed0.f:197:71: 197 | $ IGIVPT, INDXQ, IPERM, IPRMPT, IQ, IQPTR, IWREM, | ^ Warning: 'iwrem' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/dlaed1.f... Compiling double/dlaed2.f... double/dlaed2.f:439:72: 439 | DLAMDA( K ) = D( PJ ) | ^ Warning: 'pj' may be used uninitialized [-Wmaybe-uninitialized] double/dlaed2.f:243:35: 243 | $ N2, NJ, PJ | ^ note: 'pj' was declared here Compiling double/dlaed3.f... Compiling double/dlaed4.f... Compiling double/dlaed5.f... Compiling double/dlaed6.f... Compiling double/dlaed7.f... Compiling double/dlaed8.f... double/dlaed8.f:420:72: 420 | S = Z( JLAM ) | ^ Warning: 'jlam' may be used uninitialized [-Wmaybe-uninitialized] double/dlaed8.f:272:41: 272 | INTEGER I, IMAX, J, JLAM, JMAX, JP, K2, N1, N1P1, N2 | ^ note: 'jlam' was declared here Compiling double/dlaed9.f... Compiling double/dlamrg.f... Compiling double/dlaeda.f... Compiling double/dsyevd.f... Compiling double/ilaenv.f... Compiling double/ieeeck.f... Compiling double/lsamen.f... Compiling double/iladlr.f... Compiling double/iladlc.f... Compiling double/ilazlc.f... Compiling double/ilazlr.f... Compiling double/iparmq.f... double/iparmq.f:293:12: 293 | IF( NH.LE.KNWSWP ) THEN | ^ Warning: 'nh' may be used uninitialized [-Wmaybe-uninitialized] double/iparmq.f:238:27: 238 | INTEGER NH, NS | ^ note: 'nh' was declared here double/iparmq.f:296:72: 296 | IPARMQ = 3*NS / 2 | ^ Warning: 'ns' may be used uninitialized [-Wmaybe-uninitialized] double/iparmq.f:238:31: 238 | INTEGER NH, NS | ^ note: 'ns' was declared here Compiling double/zbdsqr.f... Compiling double/zgebd2.f... Compiling double/zgebrd.f... Compiling double/zgelq2.f... Compiling double/zgelqf.f... Compiling double/zgeqr2.f... Compiling double/zgeqrf.f... Compiling double/zgesvd.f... double/zgesvd.f:478:34: 476 | CALL ZUNGLQ( N, N, M, DUM(1), N, DUM(1), DUM(1), -1, IERR ) | 2 477 | LWORK_ZUNGLQ_N=DUM(1) 478 | CALL ZUNGLQ( M, N, M, A, LDA, DUM(1), DUM(1), -1, IERR ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). double/zgesvd.f:677:42: 324 | CALL ZGEQRF( M, N, A, LDA, DUM(1), DUM(1), -1, IERR ) | 2 ...... 677 | CALL ZGEQRF( M, N, A, LDA, WORK( ITAU ), WORK( IWORK ), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). double/zgesvd.f:677:56: 324 | CALL ZGEQRF( M, N, A, LDA, DUM(1), DUM(1), -1, IERR ) | 2 ...... 677 | CALL ZGEQRF( M, N, A, LDA, WORK( ITAU ), WORK( IWORK ), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). double/zgesvd.f:693:58: 332 | CALL ZGEBRD( N, N, A, LDA, S, DUM(1), DUM(1), | 2 ...... 693 | CALL ZGEBRD( N, N, A, LDA, S, RWORK( IE ), WORK( ITAUQ ), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). double/zgesvd.f:694:28: 333 | $ DUM(1), DUM(1), -1, IERR ) | 2 ...... 694 | $ WORK( ITAUP ), WORK( IWORK ), LWORK-IWORK+1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). double/zgesvd.f:694:43: 333 | $ DUM(1), DUM(1), -1, IERR ) | 2 ...... 694 | $ WORK( ITAUP ), WORK( IWORK ), LWORK-IWORK+1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). double/zgesvd.f:703:53: 336 | CALL ZUNGBR( 'P', N, N, N, A, LDA, DUM(1), | 2 ...... 703 | CALL ZUNGBR( 'P', N, N, N, A, LDA, WORK( ITAUP ), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). double/zgesvd.f:704:31: 337 | $ DUM(1), -1, IERR ) | 2 ...... 704 | $ WORK( IWORK ), LWORK-IWORK+1, IERR ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). double/zgesvd.f:772:48: 327 | CALL ZUNGQR( M, N, N, A, LDA, DUM(1), DUM(1), -1, IERR ) | 2 ...... 772 | CALL ZUNGQR( M, N, N, A, LDA, WORK( ITAU ), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). double/zgesvd.f:773:31: 327 | CALL ZUNGQR( M, N, N, A, LDA, DUM(1), DUM(1), -1, IERR ) | 2 ...... 773 | $ WORK( IWORK ), LWORK-IWORK+1, IERR ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). double/zgesvd.f:2179:42: 473 | CALL ZGELQF( M, N, A, LDA, DUM(1), DUM(1), -1, IERR ) | 2 ...... 2179 | CALL ZGELQF( M, N, A, LDA, WORK( ITAU ), WORK( IWORK ), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). double/zgesvd.f:2179:56: 473 | CALL ZGELQF( M, N, A, LDA, DUM(1), DUM(1), -1, IERR ) | 2 ...... 2179 | CALL ZGELQF( M, N, A, LDA, WORK( ITAU ), WORK( IWORK ), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). double/zgesvd.f:2278:48: 476 | CALL ZUNGLQ( N, N, M, DUM(1), N, DUM(1), DUM(1), -1, IERR ) | 2 ...... 2278 | CALL ZUNGLQ( M, N, M, A, LDA, WORK( ITAU ), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). double/zgesvd.f:2279:31: 476 | CALL ZUNGLQ( N, N, M, DUM(1), N, DUM(1), DUM(1), -1, IERR ) | 2 ...... 2279 | $ WORK( IWORK ), LWORK-IWORK+1, IERR ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). double/zgesvd.f:2165:12: 2165 | IF( N.GE.MNTHR ) THEN | ^ Warning: 'mnthr' may be used uninitialized [-Wmaybe-uninitialized] double/zgesvd.f:246:53: 246 | $ MAXWRK, MINMN, MINWRK, MNTHR, NCU, NCVT, NRU, | ^ note: 'mnthr' was declared here double/zgesvd.f:3394:24: 3394 | IF( LWORK.GE.WRKBL+LDA*M ) THEN | ^ Warning: 'wrkbl' may be used uninitialized [-Wmaybe-uninitialized] double/zgesvd.f:247:36: 247 | $ NRVT, WRKBL | ^ note: 'wrkbl' was declared here Compiling double/zheev.f... Compiling double/zhegs2.f... Compiling double/zhegst.f... Compiling double/zhegv.f... Compiling double/zhetd2.f... Compiling double/zhetrd.f... Compiling double/zlacgv.f... Compiling double/zladiv.f... Compiling double/zlanhe.f... double/zlanhe.f:149:48: 149 | DOUBLE PRECISION ABSA, SCALE, SUM, VALUE | ^ Warning: 'value' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/zlarf.f... Compiling double/zlarfb.f... Compiling double/zlarfg.f... Compiling double/zlabrd.f... Compiling double/zlarft.f... Compiling double/zlascl.f... Compiling double/zlaset.f... Compiling double/zlasr.f... Compiling double/zlassq.f... Compiling double/zlatrd.f... Compiling double/zpotf2.f... Compiling double/zpotrf.f... Compiling double/zsteqr.f... Compiling double/zung2l.f... Compiling double/zung2r.f... Compiling double/zungql.f... double/zungql.f:210:23: 210 | IF( NB.GT.1 .AND. NB.LT.K ) THEN | ^ Warning: 'nb' may be used uninitialized [-Wmaybe-uninitialized] double/zungql.f:152:27: 152 | $ NB, NBMIN, NX | ^ note: 'nb' was declared here Compiling double/zspcon.f... Compiling double/zspmv.f... Compiling double/zspr.f... double/zspr.f:156:54: 156 | INTEGER I, INFO, IX, J, JX, K, KK, KX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/zsprfs.f... Compiling double/zspsvx.f... Compiling double/zsptrf.f... Compiling double/zsptrs.f... Compiling double/zlacon.f... Compiling double/zlacpy.f... Compiling double/zlansp.f... double/zlansp.f:140:48: 140 | DOUBLE PRECISION ABSA, SCALE, SUM, VALUE | ^ Warning: 'value' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/zungbr.f... Compiling double/zungl2.f... Compiling double/zunglq.f... Compiling double/zungqr.f... Compiling double/zungtr.f... Compiling double/zunm2r.f... Compiling double/zunmbr.f... Compiling double/zunml2.f... Compiling double/zunmlq.f... Compiling double/zunmqr.f... Compiling double/zlarfx.f... Compiling double/zunghr.f... Compiling double/zlatrs.f... Compiling double/zgebak.f... Compiling double/zgebal.f... Compiling double/zgeev.f... Compiling double/zgehd2.f... Compiling double/zgehrd.f... double/zgehrd.f:300:72: 300 | DO 40 I = ILO, IHI - 1 - NX, NB | ^ Warning: 'nx' may be used uninitialized [-Wmaybe-uninitialized] double/zgehrd.f:195:38: 195 | $ NBMIN, NH, NX | ^ note: 'nx' was declared here Compiling double/zgesv.f... Compiling double/zgetf2.f... Compiling double/zgetrf.f... Compiling double/zgetrs.f... Compiling double/zhseqr.f... Compiling double/zlahqr.f... Compiling double/zlahrd.f... Compiling double/zlange.f... double/zlange.f:140:42: 140 | DOUBLE PRECISION SCALE, SUM, VALUE, TEMP | ^ Warning: 'value' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/zlanhs.f... double/zlanhs.f:134:42: 134 | DOUBLE PRECISION SCALE, SUM, VALUE | ^ Warning: 'value' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/dlabad.f... Compiling double/ztrevc.f... Compiling double/zlaswp.f... Compiling double/zrot.f... Compiling double/zlaqr3.f... Compiling double/ztrexc.f... Compiling double/zunmhr.f... Compiling double/zlahr2.f... double/zlahr2.f:206:26: 206 | COMPLEX*16 EI | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] double/zlahr2.f:206:26: Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/zlaqr0.f... double/zlaqr0.f:492:72: 492 | NDEC = NDEC + 1 | ^ Warning: 'ndec' may be used uninitialized [-Wmaybe-uninitialized] double/zlaqr0.f:294:37: 294 | $ LWKOPT, NDEC, NDFL, NH, NHO, NIBBLE, NMIN, NS, | ^ note: 'ndec' was declared here Compiling double/zlaqr4.f... double/zlaqr4.f:498:72: 498 | NDEC = NDEC + 1 | ^ Warning: 'ndec' may be used uninitialized [-Wmaybe-uninitialized] double/zlaqr4.f:300:37: 300 | $ LWKOPT, NDEC, NDFL, NH, NHO, NIBBLE, NMIN, NS, | ^ note: 'ndec' was declared here Compiling double/zlartg.f... Compiling double/zlaqr1.f... Compiling double/xerbla.f... Compiling double/zlaqr5.f... Compiling double/zlaqr2.f... Compiling double/lsame.f... Compiling double/dgeev.f... Compiling double/dgeevx.f... Compiling double/dgebak.f... Compiling double/dgebal.f... Compiling double/dgehrd.f... double/dgehrd.f:300:72: 300 | DO 40 I = ILO, IHI - 1 - NX, NB | ^ Warning: 'nx' may be used uninitialized [-Wmaybe-uninitialized] double/dgehrd.f:195:38: 195 | $ NBMIN, NH, NX | ^ note: 'nx' was declared here Compiling double/dtrsna.f... Compiling double/dlaqtr.f... Compiling double/dhseqr.f... Compiling double/dorghr.f... Compiling double/dtrevc.f... Compiling double/dlaln2.f... Compiling double/dlahqr.f... double/dlahqr.f:588:16: 588 | IF( I2.GT.I ) | ^ Warning: 'i2' may be used uninitialized [-Wmaybe-uninitialized] double/dlahqr.f:238:34: 238 | INTEGER I, I1, I2, ITS, J, K, L, M, NH, NR, NZ | ^ note: 'i2' was declared here Compiling double/dgehd2.f... Compiling double/dlanhs.f... double/dlanhs.f:132:42: 132 | DOUBLE PRECISION SCALE, SUM, VALUE | ^ Warning: 'value' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/dlarfx.f... Compiling double/dlahrd.f... double/dlahrd.f:282:72: 282 | A( K+NB, NB ) = EI | ^ Warning: 'ei' may be used uninitialized [-Wmaybe-uninitialized] double/dlahrd.f:193:27: 193 | DOUBLE PRECISION EI | ^ note: 'ei' was declared here Compiling double/dlanv2.f... Compiling double/dlarra.f... Compiling double/dlarrb.f... Compiling double/dlarrc.f... Compiling double/dlarrd.f... double/dlarrd.f:720:39: 720 | IF( W( JE ).LE.WLU .AND. IDISCL.GT.0 ) THEN | ^ Warning: 'wlu' may be used uninitialized [-Wmaybe-uninitialized] double/dlarrd.f:358:49: 358 | $ TNORM, UFLOW, WKILL, WLU, WUL | ^ note: 'wlu' was declared here double/dlarrd.f:737:39: 737 | IF( W( JE ).GE.WUL .AND. IDISCU.GT.0 ) THEN | ^ Warning: 'wul' may be used uninitialized [-Wmaybe-uninitialized] double/dlarrd.f:358:54: 358 | $ TNORM, UFLOW, WKILL, WLU, WUL | ^ note: 'wul' was declared here Compiling double/dlarrf.f... Compiling double/dlarrk.f... Compiling double/dlarrv.f... Compiling double/dlar1v.f... Compiling double/dlaneg.f... Compiling double/dgelss.f... Compiling double/dormtr.f... Compiling double/dormql.f... double/dormql.f:271:23: 271 | IF( NB.GT.1 .AND. NB.LT.K ) THEN | ^ Warning: 'nb' may be used uninitialized [-Wmaybe-uninitialized] double/dormql.f:193:31: 193 | $ MI, NB, NBMIN, NI, NQ, NW | ^ note: 'nb' was declared here Compiling double/dorm2l.f... Compiling double/dsfrk.f... Compiling double/dsytrf.f... Compiling double/dgetri.f... Compiling double/dtrsm.f... Compiling double/dtrmv.f... double/dtrmv.f:168:31: 168 | INTEGER I,INFO,IX,J,JX,KX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/dtrmm.f... Compiling double/dpftrf.f... Compiling double/dpftri.f... Compiling double/dtfsm.f... Compiling double/dtftri.f... Compiling double/zlacp2.f... Compiling double/zsysv.f... Compiling double/zsytrf.f... Compiling double/zsytf2.f... double/zsytf2.f:483:18: 483 | IF( IMAX.LT.N ) THEN | ^ Warning: 'imax' may be used uninitialized [-Wmaybe-uninitialized] double/zsytf2.f:217:32: 217 | INTEGER I, IMAX, J, JMAX, K, KK, KP, KSTEP | ^ note: 'imax' was declared here Compiling double/zsytrs.f... Compiling double/zsytrs2.f... Compiling double/zsyr.f... double/zsyr.f:156:47: 156 | INTEGER I, INFO, IX, J, JX, KX | ^ Warning: 'kx' may be used uninitialized [-Wmaybe-uninitialized] Compiling double/zsyconv.f... Compiling double/zlasyf.f... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/lapack' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/lapack' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwclapack.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwclapack.a dlamch.o dlaisnan.o dbdsqr.o dgebd2.o dgebrd.o dgelq2.o dgelqf.o dgeqr2.o dgeqrf.o dgesv.o dgesvd.o dgetf2.o dgetrf.o dgetrs.o disnan.o dlahr2.o dlaqr0.o dlabrd.o dlacon.o dlacpy.o dladiv.o dlae2.o dlaev2.o dlaexc.o dlagtf.o dlagts.o dgels.o dlange.o dlansp.o dtrti2.o dlanst.o dlansy.o dlapy2.o dlapy3.o dlarf.o dlarfb.o dlarfg.o dlarft.o dlarnv.o dlartg.o dlaruv.o dlas2.o dlasy2.o dlacn2.o dlaqr1.o dlaqr2.o dlaqr3.o dlaqr4.o dlaqr5.o dlascl.o dlaset.o dlasr.o dlasrt.o dlassq.o dlasv2.o dlaswp.o dlatrd.o dlauu2.o dlauum.o dorg2l.o dorg2r.o dormhr.o dgtsv.o dorgbr.o dorgl2.o dorglq.o dorgql.o dorgqr.o dorgtr.o dorm2r.o dormbr.o dorml2.o dormlq.o dormqr.o dpotf2.o dpotrf.o dpotri.o dspcon.o dsprfs.o dspsvx.o dsptrf.o dsptrs.o dsteqr.o dsterf.o dsyev.o dsygs2.o dsygst.o dsysv.o dsygv.o dsytd2.o dsytrd.o dtrexc.o dtrtri.o dlasq1.o dlasq2.o dlasq3.o dlasq5.o dlasq4.o dlasq6.o dposv.o dtrtrs.o dpotrs.o dlaebz.o dstedc.o dlaed0.o dlaed1.o dlaed2.o dlaed3.o dlaed4.o dlaed5.o dlaed6.o dlaed7.o dlaed8.o dlaed9.o dlamrg.o dlaeda.o dsyevd.o ilaenv.o ieeeck.o lsamen.o iladlr.o iladlc.o ilazlc.o ilazlr.o iparmq.o zbdsqr.o zgebd2.o zgebrd.o zgelq2.o zgelqf.o zgeqr2.o zgeqrf.o zgesvd.o zheev.o zhegs2.o zhegst.o zhegv.o zhetd2.o zhetrd.o zlacgv.o zladiv.o zlanhe.o zlarf.o zlarfb.o zlarfg.o zlabrd.o zlarft.o zlascl.o zlaset.o zlasr.o zlassq.o zlatrd.o zpotf2.o zpotrf.o zsteqr.o zung2l.o zung2r.o zungql.o zspcon.o zspmv.o zspr.o zsprfs.o zspsvx.o zsptrf.o zsptrs.o zlacon.o zlacpy.o zlansp.o zungbr.o zungl2.o zunglq.o zungqr.o zungtr.o zunm2r.o zunmbr.o zunml2.o zunmlq.o zunmqr.o zlarfx.o zunghr.o zlatrs.o zgebak.o zgebal.o zgeev.o zgehd2.o zgehrd.o zgesv.o zgetf2.o zgetrf.o zgetrs.o zhseqr.o zlahqr.o zlahrd.o zlange.o zlanhs.o dlabad.o ztrevc.o zlaswp.o zrot.o zlaqr3.o ztrexc.o zunmhr.o zlahr2.o zlaqr0.o zlaqr4.o zlartg.o zlaqr1.o xerbla.o zlaqr5.o zlaqr2.o lsame.o dgeev.o dgeevx.o dgebak.o dgebal.o dgehrd.o dtrsna.o dlaqtr.o dhseqr.o dorghr.o dtrevc.o dlaln2.o dlahqr.o dgehd2.o dlanhs.o dlarfx.o dlahrd.o dlanv2.o dlarra.o dlarrb.o dlarrc.o dlarrd.o dlarrf.o dlarrk.o dlarrv.o dlar1v.o dlaneg.o dgelss.o dormtr.o dormql.o dorm2l.o dsfrk.o dsytrf.o dgetri.o dtrsm.o dtrmv.o dtrmm.o dpftrf.o dpftri.o dtfsm.o dtftri.o zlacp2.o zsysv.o zsytrf.o zsytf2.o zsytrs.o zsytrs2.o zsyr.o zsyconv.o zlasyf.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwclapack.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwclapack.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwclapack.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/lapack' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/lapack' Making libraries in libext gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext' GNUmakefile:35: warning: overriding recipe for target '64_to_32' ../config/makelib.h:305: warning: ignoring old recipe for target '64_to_32' GNUmakefile:35: warning: overriding recipe for target '32_to_64' ../config/makelib.h:305: warning: ignoring old recipe for target '32_to_64' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies GNUmakefile:35: warning: overriding recipe for target '64_to_32' ../config/makelib.h:305: warning: ignoring old recipe for target '64_to_32' GNUmakefile:35: warning: overriding recipe for target '32_to_64' ../config/makelib.h:305: warning: ignoring old recipe for target '32_to_64' Making include_stamp in libxc gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc' GNUmakefile:16: warning: overriding recipe for target 'clean' ../../config/makelib.h:317: warning: ignoring old recipe for target 'clean' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies GNUmakefile:16: warning: overriding recipe for target 'clean' ../../config/makelib.h:317: warning: ignoring old recipe for target 'clean' touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc' touch include_stamp Making all in libxc gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc' GNUmakefile:16: warning: overriding recipe for target 'clean' ../../config/makelib.h:317: warning: ignoring old recipe for target 'clean' ./build_libxc.sh using existing libxc-6.1.0.tar.gz CMAKE_VER is 3 31 @@ NWCHEM_TOP @@ /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/.. CMake Warning (dev) at CMakeLists.txt:2 (project): cmake_minimum_required() should be called prior to this top-level project() call. Please see the cmake-commands(7) manual for usage documentation of both commands. This warning is for project developers. Use -Wno-dev to suppress it. -- The C compiler identification is Clang 18.1.6 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/local/libexec/ccache/cc - skipped -- Detecting C compile features -- Detecting C compile features - done CMake Deprecation Warning at CMakeLists.txt:10 (cmake_minimum_required): Compatibility with CMake < 3.10 will be removed from a future version of CMake. Update the VERSION argument value. Or, use the ... syntax to tell CMake that the project requires at least but has been updated to work with policies introduced by or earlier. -- Setting option CMAKE_BUILD_TYPE: Release -- Setting (unspecified) option BUILD_SHARED_LIBS: OFF -- Setting (unspecified) option BUILD_TESTING: ON -- Setting (unspecified) option BUILD_FPIC: ON -- Setting (unspecified) option NAMESPACE_INSTALL_INCLUDEDIR: / -- Setting (unspecified) option ENABLE_GENERIC: OFF -- Setting option ENABLE_FORTRAN: ON -- Setting (unspecified) option ENABLE_PYTHON: OFF -- Setting option ENABLE_XHOST: ON -- Performing Test CMAKE_C_FLAGS [-march=native] - Success, Appending -- Setting (unspecified) option DISABLE_VXC: OFF -- Setting (unspecified) option DISABLE_FXC: OFF -- Setting option DISABLE_KXC: OFF -- Setting (unspecified) option DISABLE_LXC: ON -- Setting (unspecified) option DISABLE_FHC: OFF -- Performing Test standard_math_library_linked_to_automatically -- Performing Test standard_math_library_linked_to_automatically - Failed -- Performing Test standard_math_library_linked_to_as_m -- Performing Test standard_math_library_linked_to_as_m - Success Test program linked with -m -- Performing Test HAVE_CBRT -- Performing Test HAVE_CBRT - Success -- Version: Full 6.1.0 -- SO Version: Full 13:0:1 Major 12 -- The Fortran compiler identification is GNU 13.3.0 -- Detecting Fortran compiler ABI info -- Detecting Fortran compiler ABI info - done -- Check for working Fortran compiler: /usr/local/bin/gfortran13 - skipped -- Configuring done (40.5s) -- Generating done (0.2s) CMake Warning: Manually-specified variables were not used by the project: ENABLE_FORTRAN03 -- Build files have been written to: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/libxc/build make[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/libxc-6.1.0/build' [ 1%] Building C object CMakeFiles/xc.dir/src/func_info.c.o [ 1%] Building 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executable xc-get_data [100%] Built target xc-regression [100%] Built target xc-get_data make[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/libxc-6.1.0/build' make[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/libxc-6.1.0/build' [ 95%] Built target xc [ 96%] Built target xcf03 [ 97%] Built target xcf90 [ 98%] Built target xc-info [ 98%] Built target xc-threshold [ 98%] Built target xc-consistency [ 99%] Built target xc-error [ 99%] Built target xc-get_data [100%] Built target xc-regression Install the project... -- Install configuration: "Release" -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/include/xc.h -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/include/xc_funcs.h -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/include/xc_funcs_worker.h -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/include/xc_funcs_removed.h -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/include/xc_version.h -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/bin/xc-info -- Set non-toolchain portion of runtime path of "/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/bin/xc-info" to "$ORIGIN:$ORIGIN/../lib" -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/lib/libxc.a -- Up-to-date: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/lib/libxc.a -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/lib/libxcf03.a -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/lib/libxcf90.a -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/include/xc_f03_lib_m.mod -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/include/xc_f90_lib_m.mod -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/lib/pkgconfig/libxcf03.pc -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/lib/pkgconfig/libxcf90.pc -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/lib/cmake/Libxc/LibxcConfig.cmake -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/lib/cmake/Libxc/LibxcConfigVersion.cmake -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/lib/cmake/Libxc/LibxcTargets-C.cmake -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/lib/cmake/Libxc/LibxcTargets-C-release.cmake -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/lib/cmake/Libxc/LibxcTargets-Fortran.cmake -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/lib/cmake/Libxc/LibxcTargets-Fortran-release.cmake -- Installing: /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/install/lib/pkgconfig/libxc.pc make[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc/libxc-6.1.0/build' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext/libxc' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext' GNUmakefile:35: warning: overriding recipe for target '64_to_32' ../config/makelib.h:305: warning: ignoring old recipe for target '64_to_32' GNUmakefile:35: warning: overriding recipe for target '32_to_64' ../config/makelib.h:305: warning: ignoring old recipe for target '32_to_64' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext' Making libraries in include gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/include' for dir in blas lapack libext include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol 64to32blas; do \ echo Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/$dir ; \ (cd /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/$dir; /usr/local/bin/gmake SKIP_COMPILERS=1 include_stamp) ; \ done Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/blas gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/blas' gmake[2]: 'include_stamp' is up to date. gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/blas' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/lapack gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/lapack' gmake[2]: 'include_stamp' is up to date. gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/lapack' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/libext gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext' GNUmakefile:35: warning: overriding recipe for target '64_to_32' ../config/makelib.h:305: warning: ignoring old recipe for target '64_to_32' GNUmakefile:35: warning: overriding recipe for target '32_to_64' ../config/makelib.h:305: warning: ignoring old recipe for target '32_to_64' gmake[2]: 'include_stamp' is up to date. gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/libext' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/include' Nothing to be done gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/include' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/basis gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/basis' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p bas.fh basP.fh bas_staticP.fh basdeclsP.fh geobasmapP.fh bas_exndcf.fh bas_exndcf_dec.fh bas_exndcf_sfn.fh bas_ibs.fh bas_ibs_dec.fh bas_ibs_sfn.fh ../NWints/rel/rel_nwc.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/basis' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/geom gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/geom' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p geom.fh geomP.fh periodic.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/geom' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/inp gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/inp' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p inp.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/inp' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/input gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/input' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/input' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/pstat gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/pstat' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p pstat.fh pstat_consts.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/pstat' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/rtdb gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in hdbm gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb/hdbm' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p hdbm.h /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb/hdbm' cp -p context.h rtdb.h rtdb.fh context.fh rtdb.cray.h /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/task gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/task' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/task' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/symmetry gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/symmetry' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p sym.fh ../NWints/auxil/spcartP.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/symmetry' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/util gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/util' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in md5 gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/util/md5' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p checksum.h /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/util/md5' cp -p util.fh itri.fh msgids.fh numerical_constants.fh stdio.fh printlevels.fh bitops.fh bitops_decls.fh bitops_funcs.fh bgj.fh bgj_common.fh nwc_const.fh errquit.fh util_sgroup.fh util_params.fh utilc_nwchem_srcdir.fh util_maxlength.fh util_intsize.fh vtune.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/util' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/peigs gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/peigs' touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/peigs' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/perfm gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p dist.fh yflop.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/bq gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/bq' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p bq.fh bq_params.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/bq' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/cons gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cons' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cons' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/NWints gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in simint gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in module gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/module' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/module' Making include_stamp in source gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/source' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/source' touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint' Making include_stamp in api gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/api' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p int_tim.fh apiP.fh int_nbf.fh ../../property/prop.fh candoP.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/api' Making include_stamp in int gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/int' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p sh_order.fh case.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/int' Making include_stamp in auxil gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/auxil' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p spcartP.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/auxil' Making include_stamp in ints_sp gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ints_sp' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ints_sp' Making include_stamp in deriv gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/deriv' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p ../int/sh_order.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/deriv' Making include_stamp in texas gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/texas' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p screened_op.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/texas' Making include_stamp in ecp gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ecp' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p ecp_nwc.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ecp' Making include_stamp in hondo gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/hondo' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p hnd_whermt.fh hnd_rys.fh hnd_tol.fh hnd_pointers.fh hnd_giao.fh hnd_wleg.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/hondo' Making include_stamp in rel gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/rel' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p rel_consts.fh rel_nwc.fh zora.fh modelpotential.fh x2c.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/rel' Making include_stamp in dk gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/dk' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/dk' cp -p api/int_tim.fh api/apiP.fh api/int_nbf.fh auxil/spcartP.fh hondo/hnd_whermt.fh hondo/hnd_rys.fh hondo/hnd_tol.fh ../property/prop.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/atomscf gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/atomscf' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/atomscf' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/ddscf gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in fast gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf/fast' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf/fast' cp -p schwarz.fh cscfps.fh cfock.fh cscf.fh cint2efile.fh cfockmul.fh crohf.fh cosmo.fh cuhf.fh frozemb.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/gradients gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gradients' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gradients' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/moints gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/moints' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p moints_stats.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/moints' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/nwdft gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I./include -I./grid -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in include gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/include' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/include' Making include_stamp in input_dft gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/input_dft' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/input_dft' Making include_stamp in scf_dft gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/scf_dft' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p dftps.fh dft_fdist.fh dft_conv.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/scf_dft' Making include_stamp in scf_dft_cg gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/scf_dft_cg' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p ../../ddscf/cosmo.fh ../../ddscf/frozemb.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/scf_dft_cg' Making include_stamp in so_dft gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/so_dft' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/so_dft' Making include_stamp in coulomb gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/coulomb' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/coulomb' Making include_stamp in xc gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/xc' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p xc.fh xc_vdw.fh xc_params.fh xc_hcth.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/xc' Making include_stamp in util gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/util' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/util' Making include_stamp in grid gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/grid' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/grid' Making include_stamp in dftgrad gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/dftgrad' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/dftgrad' Making include_stamp in lr_tddft gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/lr_tddft' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/lr_tddft' Making include_stamp in lr_tddft_grad gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/lr_tddft_grad' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/lr_tddft_grad' Making include_stamp in zora gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/zora' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/zora' Making include_stamp in spec gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/spec' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/spec' Making include_stamp in rt_tddft gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in matutils gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/matutils' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p matutils.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/matutils' Making include_stamp in rtutils gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/rtutils' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/rtutils' Making include_stamp in input gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/input' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/input' Making include_stamp in init gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/init' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/init' Making include_stamp in canorg gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/canorg' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/canorg' Making include_stamp in propagators gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/propagators' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/propagators' Making include_stamp in closedshell gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/closedshell' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/closedshell' Making include_stamp in openshell gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/openshell' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/openshell' cp -p ./headers/rt_tddft.fh ./headers/matutils.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft' Making include_stamp in libxc gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/libxc' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I../../libext/libxc/install/include -I. -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p libxc.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/libxc' Making include_stamp in x2c gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/x2c' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I../../ddscf -I../grid -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/x2c' cp -p ../ddscf/cosmo.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/rimp2 gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rimp2' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rimp2' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/stepper gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/stepper' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/stepper' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/driver gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/driver' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/driver' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/optim gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in deloc gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/deloc' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/deloc' Making include_stamp in mepgs gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/mepgs' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/mepgs' Making include_stamp in tropt gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/tropt' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/tropt' Making include_stamp in neb gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/neb' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/neb' Making include_stamp in string gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/string' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/string' touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/cphf gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cphf' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cphf' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/ccsd gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ccsd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ccsd' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/vib gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/vib' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/vib' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/mcscf gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mcscf' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in detci gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mcscf/detci' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mcscf/detci' touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mcscf' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/prepar gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/prepar' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/prepar' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/esp gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/esp' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/esp' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/hessian gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in analytic gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in dft gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic/dft' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../../../nwdft/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic/dft' cp -p hess_info.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic' touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/selci gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/selci' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/selci' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/dplot gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dplot' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dplot' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/mp2_grad gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mp2_grad' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mp2_grad' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/qhop gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qhop' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qhop' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/property gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/property' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p prop.fh atomdata.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/property' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/solvation gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/solvation' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p ../property/prop.fh ../property/atomdata.fh cosmoP.fh cosmo_params.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/solvation' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/nwpw gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies USE_OPENMP undefined USE_OPENMP undefined Making include_stamp in nwpwlib gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in Parallel gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p stupid_mpi4.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' Making include_stamp in D1dB gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' Making include_stamp in D3dB gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' Making include_stamp in Pneb gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' Making include_stamp in K1dB gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' Making include_stamp in C1dB gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' Making include_stamp in C3dB gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' Making include_stamp in DMatrix gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' Making include_stamp in CMatrix gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' Making include_stamp in TMatrix gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' Making include_stamp in control gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/control' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/control' Making include_stamp in lattice gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' Making include_stamp in io gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/io' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/io' Making include_stamp in ion gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in shake gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' cp -p ../../nwpwlib/utilities/beom.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion' Making include_stamp in pseudopotential gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in paw_atom gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential' Making include_stamp in utilities gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in paw_utilities gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' cp -p bafdecls.fh btdb.fh beom.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' Making include_stamp in unitcell gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' Making include_stamp in brillouin_zone gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' Making include_stamp in fractional gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p frac_occ.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' Making include_stamp in linesearch gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' Making include_stamp in timing gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/timing' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/timing' Making include_stamp in ewald gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' Making include_stamp in thermostats gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' Making include_stamp in MetaDynamics gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' Making include_stamp in TAMD gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' Making include_stamp in FMM gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' Making include_stamp in md_xs gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in FEFF6L gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' Making include_stamp in nwpwxc gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p nwpwxc.fh nwpwxc_param.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib' Making include_stamp in libraryps gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/libraryps' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/libraryps' Making include_stamp in pspw gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in lib gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in psi gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psi' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psi' Making include_stamp in electron gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/electron' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/electron' Making include_stamp in ke gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ke' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ke' Making include_stamp in coulomb gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' Making include_stamp in exchange-correlation gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in vdw-DF gmake[6]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[6]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' Making include_stamp in sic gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/sic' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/sic' Making include_stamp in hfx gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' Making include_stamp in ion gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ion' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ion' Making include_stamp in psp gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psp' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psp' Making include_stamp in Grsm_list gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' Making include_stamp in aorbs gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' Making include_stamp in truncating_function gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib' Making include_stamp in kbpp gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/kbpp' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/kbpp' Making include_stamp in makepsi gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/makepsi' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/makepsi' Making include_stamp in cpsd gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cpsd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cpsd' Making include_stamp in cgsd gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cgsd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cgsd' Making include_stamp in analysis gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in APC gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis' Making include_stamp in cell_optimize gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' Making include_stamp in qmmm gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in pspw_LJ gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' Making include_stamp in pspw_Q gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' Making include_stamp in pspw_Pair gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' Making include_stamp in mmq gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm' Making include_stamp in charge gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/charge' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/charge' Making include_stamp in dplot gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/dplot' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/dplot' Making include_stamp in lcao gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lcao' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lcao' touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw' Making include_stamp in paw gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in paw_geometry gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_geometry' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_geom.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_geometry' Making include_stamp in paw_ma gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ma' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_ma.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ma' Making include_stamp in paw_utils gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_utils' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p bessel_transform.fh integrate.fh paw_utils.fh paw_params.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_utils' Making include_stamp in paw_basis gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_basis' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_basis.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_basis' Making include_stamp in paw_proj gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_proj' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_proj.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_proj' Making include_stamp in paw_matrix gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_matrix' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_comp_charge_matrix.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_matrix' Making include_stamp in paw_ovlp gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_ovlp_data.fh paw_ovlp.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' Making include_stamp in paw_comp_charge gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_comp_charge_data.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' Making include_stamp in paw_special_functions gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_spher_func.fh paw_gamma_function.fh paw_hypergeom.fh paw_double_factorial.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' Making include_stamp in paw_gaunt gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_gaunt.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' Making include_stamp in paw_kinetic gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_energy_kin_atom.fh paw_matrix_kin_data.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' Making include_stamp in paw_vloc gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_vloc' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_energy_vloc_atom.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_vloc' Making include_stamp in paw_ion_potential gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_energy_ion_atom.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' Making include_stamp in paw_core gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_core' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_energy_core_atom.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_core' Making include_stamp in paw_hartree gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_hartree' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include/ -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_energy_hartree_atom.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_hartree' Making include_stamp in paw_comp_pot gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_matrix_comp_pot.fh paw_pot_comp_data.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' Making include_stamp in paw_mult gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_mult' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_mult_data.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_mult' Making include_stamp in paw_nonlocal gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' Making include_stamp in paw_density gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_density' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_density' Making include_stamp in paw_xc gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_xc' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_xc.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_xc' Making include_stamp in paw_force gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_force' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p paw_force_data.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_force' Making include_stamp in paw_Grsm_list gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' Making include_stamp in paw_psi gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_psi' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_psi' Making include_stamp in cpsd gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cpsd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cpsd' Making include_stamp in cgsd gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cgsd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cgsd' Making include_stamp in cell_optimize gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cell_optimize' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cell_optimize' touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw' Making include_stamp in band gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in minimizer gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/minimizer' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/minimizer' Making include_stamp in structure gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/structure' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/structure' Making include_stamp in cpsd gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cpsd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cpsd' Making include_stamp in cell_optimize gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cell_optimize' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cell_optimize' Making include_stamp in kbpp gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/kbpp' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/kbpp' Making include_stamp in makepsi gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/makepsi' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/makepsi' Making include_stamp in lib gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in cpsp gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/cpsp' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/cpsp' Making include_stamp in ke gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/ke' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/ke' Making include_stamp in coulomb gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/coulomb' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/coulomb' Making include_stamp in electron gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/electron' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/electron' Making include_stamp in psi gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/psi' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/psi' Making include_stamp in hfx gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/hfx' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/hfx' Making include_stamp in Grsm_list gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' Making include_stamp in borbs gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/borbs' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/borbs' touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib' Making include_stamp in dplot gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/dplot' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/dplot' Making include_stamp in analysis gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in APC gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis/APC' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis/APC' touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis' touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band' Making include_stamp in ofpw gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in minimizer gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/minimizer' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../../nwpwlib/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/minimizer' Making include_stamp in cpsd gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/cpsd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/cpsd' Making include_stamp in lib gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in chi gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' Making include_stamp in electron gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' Making include_stamp in ke gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' Making include_stamp in WGC gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib' touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw' touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/fft gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in pfft1.0 gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Making include_stamp in fftpack gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/fftpack' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/fftpack' Making include_stamp in pfft gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/pfft' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/pfft' touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0' Making include_stamp in pfftwrap gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfftwrap' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfftwrap' touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/python gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/python' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include/python3.11 -I/usr/local/include/python3.11 -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/python' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/analyz gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/analyz' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/analyz' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/nwmd gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwmd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p nwmd_constants.fh md_common.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwmd' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/cafe gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cafe' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cafe' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/space gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/space' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/space' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/drdy gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/drdy' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/drdy' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/vscf gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/vscf' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/vscf' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/qmmm gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qmmm' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qmmm' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/qmd gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qmd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p ../util/util_params.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qmd' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/etrans gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/etrans' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/etrans' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/tce gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce' Parse error: invalid expression :1 /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I./include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Parse error: invalid expression :1 Making include_stamp in include gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/include' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/include' Making include_stamp in diis gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis' Making include_stamp in diis2 gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis2' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis2' Making include_stamp in gradients gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/gradients' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/gradients' Making include_stamp in ccsd gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd' Making include_stamp in ccsd_lambda gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_lambda' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_lambda' Making include_stamp in eomccsd gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd' Making include_stamp in ccsd_t gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_t' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_t' Making include_stamp in cr-eomccsd_t gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr-eomccsd_t' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr-eomccsd_t' Making include_stamp in lrh gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lrh' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lrh' Making include_stamp in emb gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/emb' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/emb' Making include_stamp in ccd gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccd' Making include_stamp in lccd gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccd' Making include_stamp in lccsd gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccsd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccsd' Making include_stamp in qcisd gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/qcisd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/qcisd' Making include_stamp in cc3 gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cc3' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cc3' Making include_stamp in mbpt1 gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt1' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt1' Making include_stamp in mbpt2 gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt2' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt2' Making include_stamp in mbpt3 gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt3' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt3' Making include_stamp in mbpt4 gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt4' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt4' Making include_stamp in cis gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cis' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cis' Making include_stamp in cisd gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisd' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisd' Making include_stamp in cisdt gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdt' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdt' Making include_stamp in cisdtq gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdtq' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdtq' Making include_stamp in ccsd_act gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_act' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_act' Making include_stamp in eomccsd_act gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd_act' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd_act' Making include_stamp in cr_eomccsd_t_act gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr_eomccsd_t_act' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr_eomccsd_t_act' Making include_stamp in sort gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/sort' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/sort' Making include_stamp in ducc gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ducc' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ducc' Making include_stamp in ucc4 gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ucc4' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ucc4' Making include_stamp in ccsdt gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt' Making include_stamp in ccsdt_lambda gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt_lambda' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt_lambda' Making include_stamp in eomccsdt gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsdt' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsdt' Making include_stamp in ccsd_alpha gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_alpha' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_alpha' Making include_stamp in ccsd_beta gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_beta' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_beta' Making include_stamp in ccsd_yr gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_yr' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_yr' Making include_stamp in response gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/response' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/response' touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/bq gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/bq' gmake[2]: 'include_stamp' is up to date. gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/bq' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/mm gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mm' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p mm.fh mm_params.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mm' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/cons gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cons' gmake[2]: 'include_stamp' is up to date. gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cons' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/perfm gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' gmake[2]: 'include_stamp' is up to date. gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/dntmc gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dntmc' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dntmc' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/dangchang gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dangchang' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dangchang' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/ccca gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ccca' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../basis -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ccca' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/dimqm gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dimqm' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I../util -I../nwdft/grid -I../NWints/hondo -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p dimqm.fh dimqm_constants.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dimqm' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/fcidump gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fcidump' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fcidump' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/gwmol gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gwmol' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I./ -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies cp -p ../nwdft/include/cdft.fh ../nwdft/grid/cgridfile.fh /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gwmol' Making include_stamp in /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/64to32blas gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' touch include_stamp gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/64to32blas' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/include' Making libraries in basis gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/basis' Compiling basis.F... basis.F:2081:62: 2057 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) | 2 ...... 2081 | status = status .and. rtdb_put(rtdb,tmp,mt_dbl,nexcf,excfin(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). basis.F:1125:39: 1125 | & rtdb, tmp, mt_dbl, nexcf, dbl_mb(mb_exndcf(1,basis))) | 1 ...... 2722 | if (rtdb_get(rtdb, 'basis:nbasis', MT_INT, 1, nbasis_rtdb)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling bas_input.F... Compiling bas_contrib.F... Compiling bas_checksum.F... bas_checksum.F:45:43: 44 | call checksum_update(ltob, bas_spherical(basis)) | 2 45 | call checksum_update(itob*ndbs_head, infbs_head(1,basis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling basisP.F... Compiling bas_blas.F... Compiling bas_blasP.F... Compiling bas_vec_info.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/basis' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a basis.o bas_input.o bas_contrib.o bas_checksum.o basisP.o bas_blas.o bas_blasP.o bas_vec_info.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/basis' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/basis' Making libraries in geom gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/geom' Compiling geom.F... geom.F:1106:11: 1102 | s = s .and. rtdb_put(rtdb, tmp, mt_int, 1, ncenter(geom)) | 2 ...... 1106 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). geom.F:602:11: 357 | if (rtdb_get(rtdb, 'geometry:ngeom', mt_int, 1, ngeom_rtdb)) | 2 ...... 602 | $ coords(1,1,geom)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). geom.F:2407:30: 2407 | geom_isbq = inp_compare(0,tag,'bq') | 1 ...... 3367 | if (inp_compare(.false.,buf(1:4),elements(ind)(1:4))) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling geom_input.F... geom_input.F:361:57: 249 | if (.not. rtdb_put(rtdb, 'prop:ofinite',mt_log,1,ofinite)) | 2 ...... 361 | if (.not.rtdb_put(rtdb,'geom:istart',MT_INT,1,istart)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). geom_input.F:746:11: 706 | if (rtdb_get(rtdb, 'qcharge', MT_DBL, 1, qcharge)) then | 2 ...... 746 | D dont_verifygeom)) dont_verifygeom=.false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling geom_input2.F... Compiling geom_3d.F... Compiling geom_2d.F... Compiling geom_1d.F... Compiling geom_numcore.F... geom_numcore.F:107:51: 100 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 107 | if(rtdb_get(rtdb, key, mt_int, num_elem, tagfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geom_numcore.F:112:54: 100 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then | 2 ...... 112 | if(rtdb_get(rtdb, key, mt_int, num_elem, numfrz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling geom_checksum.F... Compiling geom_print_ecce.F... Compiling geom_freeze.F... geom_freeze.F:54:49: 50 | if (rtdb_get(rtdb, a_name , MT_LOG, 1, status)) then | 2 ...... 54 | else if (rtdb_get(rtdb, c_name, MT_INT, 1, ncore)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling geom_fragment.F... Compiling geom_getsym.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/geom' Compiling geom_hnd.F... geom_hnd.F:4628:12: 4627 | 120 DO 260 NR=1,N2 | 2 4628 | IK=IA(NR+1)+NR | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) geom_hnd.F:5062:40: 5062 | 20 if (parallel) call ga_brdcst(323, status, | 1 ...... 5141 | if (parallel) call ga_brdcst(32, a, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/geom' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/geom' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a geom.o geom_input.o geom_input2.o geom_3d.o geom_2d.o geom_1d.o geom_numcore.o geom_checksum.o geom_print_ecce.o geom_freeze.o geom_fragment.o geom_getsym.o geom_hnd.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/geom' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/geom' Making libraries in inp gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/inp' Compiling c_inp.c... Compiling hnd_rdfree.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/inp' Compiling inp.F... inp.F:27:19: 27 | data xback /'\\'/ ! Backslash ... note backslash for cpp | 1 Warning: Initialization string at (1) was truncated to fit the variable (1/2) inp.F:1370:37: 1369 | do i = 1, 3*max_width+80+6 | 2 1370 | csave(i,save_level) = cdata(i) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1373:37: 1372 | do i = 1, 9+4*max_field | 2 1373 | isave(i,save_level) = idata(i) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) inp.F:1407:15: 1406 | do i = 1, 3*max_width+80+6 | 2 1407 | cdata(i) = csave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (3158 > 1) in loop beginning at (2) inp.F:1410:15: 1409 | do i = 1, 9+4*max_field | 2 1410 | idata(i) = isave(i,save_level) | 1 Warning: Array reference at (1) out of bounds (2061 > 1) in loop beginning at (2) Compiling inp_irange.F... Compiling inp_ilist.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/inp' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/inp' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a c_inp.o hnd_rdfree.o inp.o inp_irange.o inp_ilist.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/inp' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/inp' Making libraries in input gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/input' Compiling input_parse.F... Compiling input_mem.F... input_mem.F:66:33: 63 | call brdcst(Msg_HeapMem, heap_size, mitob1, 0) | 2 ...... 66 | call brdcst(Msg_StkMem, overify, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling memory_input.F... Compiling input_set.F... input_set.F:173:12: 170 | $ int_mb(i_values)) | 2 ...... 173 | $ dbl_mb(i_values)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling input_title.F... Compiling get_inp_file.F... Compiling memory_def.F... Compiling speech_input.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/input' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwctask.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwctask.a input_parse.o input_mem.o memory_input.o input_set.o input_title.o get_inp_file.o memory_def.o speech_input.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwctask.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwctask.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwctask.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/input' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/input' Making libraries in pstat gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/pstat' Compiling pstat_init.F... Compiling pstat_term.F... Compiling pstat_alloc.F... Compiling pstat_on.F... Compiling pstat_off.F... Compiling pstat_pr_all.F... Compiling pstat_free.F... Compiling pstat_pr_han.F... Compiling pstat_pr_det.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/pstat' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a pstat_init.o pstat_term.o pstat_alloc.o pstat_on.o pstat_off.o pstat_pr_all.o pstat_free.o pstat_pr_han.o pstat_pr_det.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/pstat' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/pstat' Making libraries in rtdb gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb' Compiling rtdb_f2c.c... Compiling rtdb.c... rtdb.c:91:11: warning: unused variable 'type' [-Wunused-variable] 91 | Integer type = msg_type; | ^~~~ 1 warning generated. Compiling rtdb_seq.c... rtdb_seq.c:137:38: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 137 | nprint += fprintf(file, "%d ", ((Integer *) p)[i]); | ~~ ^~~~~~~~~~~~~~~~~~ | %ld 1 warning generated. Compiling context.c... context.c:135:13: warning: unused function 'context_print' [-Wunused-function] 135 | static void context_print() | ^~~~~~~~~~~~~ 1 warning generated. Compiling context_f2c.c... context_f2c.c:126:35: warning: passing 'const char *' to parameter of type 'char *' discards qualifiers [-Wincompatible-pointer-types-discards-qualifiers] 126 | int status = string_to_fortchar(string, len, tmp); | ^~~~~~ 1 warning generated. gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb' Making all in hdbm gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb/hdbm' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb/hdbm' Compiling hdbm.c... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb/hdbm' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb/hdbm' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a hdbm.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb/hdbm' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb/hdbm' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a rtdb_f2c.o rtdb.o rtdb_seq.o context.o context_f2c.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rtdb' Making libraries in task gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/task' Compiling task_energy.F... task_energy.F:284:59: 281 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 284 | if (.not.rtdb_get(rtdb,'dft:which_mp2',mt_int,1,which_mp2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_energy.F:68:57: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_energy.F:151:57: 151 | if (.not. rtdb_put(rtdb, 'task:energy', mt_dbl, 1, energy)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:160:58: 160 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) task_energy.F:163:59: 163 | if (.not. rtdb_put(rtdb, 'task:walltime', mt_dbl, 1, wall)) | 1 ...... 467 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl, 3, dipole)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling task_gradient.F... task_gradient.F:560:50: 320 | $ numerical)) numerical = .false. | 2 ...... 560 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_gradient.F:66:57: 66 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 567 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl,3,dipole(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_optimize.F... task_optimize.F:160:63: 123 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 160 | if (.not. rtdb_put(rtdb,'driver:modsad',mt_int, 1, 0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling task_freq.F... task_freq.F:131:58: 63 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_hessian.F... task_hessian.F:246:53: 180 | if (.not. rtdb_get(rtdb,'bsse',mt_log,1,task_bsse)) | 2 ...... 246 | if (.not.rtdb_get(rtdb,'xtb:verb',mt_int,1,verb)) verb=1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_hessian.F:247:53: 184 | if (.not. rtdb_put(rtdb,'bsse',mt_log,1,.false.)) | 2 ...... 247 | if (.not.rtdb_put(rtdb,'xtb:verb',mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling task_dynamics.F... task_dynamics.F:94:61: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 94 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_thermo.F... task_thermo.F:80:61: 59 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 80 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_et.F... task_et.F:46:57: 40 | if (.not. rtdb_put(rtdb, 'task:et', mt_dbl, 1, Vba)) | 2 ...... 46 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, status)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_save_state.F... Compiling task.F... task.F:180:50: 180 | if (rtdb_get(rtdb, 'task:debug', mt_log, 1, odebug)) | 1 ...... 582 | if (.not.rtdb_get(rtdb,'task:shell range',mt_int,3,range)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling task_input.F... Compiling task_shell_input.F... Compiling task_num_grad.F... task_num_grad.F:285:52: 185 | if (.not.rtdb_get(rtdb,'gradient:usegroups',MT_LOG,1,use_groups)) | 2 ...... 285 | if (.not. rtdb_get(rtdb, ename, mt_dbl, 1, eref)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). task_num_grad.F:506:58: 467 | if (.not. rtdb_put(rtdb, gname, mt_dbl, natoms3, dbl_mb(k_grad))) | 2 ...... 506 | if (.not. rtdb_put(rtdb,'scf:converged',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling task_vscf.F... task_vscf.F:98:52: 72 | if (.not. rtdb_get(rtdb,'vscf:freq_done',mt_log,1,freq_done)) | 2 ...... 98 | if (.not. rtdb_get(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_vscf.F:156:58: 58 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 156 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_property.F... Compiling task_dntmc.F... task_dntmc.F:77:61: 61 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 77 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_bsse.F... task_bsse.F:452:51: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 452 | if (.not. rtdb_put(rtdb,'charge',mt_dbl,1,charge)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). task_bsse.F:587:49: 424 | if (.not. rtdb_get(rtdb,'bsse:first_j',mt_log,1,first_j)) | 2 ...... 587 | if (.not.rtdb_get( rtdb, ctmp, mt_int, 1, natoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_bsse.F:550:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 550 | if (.not. rtdb_put( rtdb, ctmp, mt_int, nmon, mon_atm )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_bsse.F:554:62: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 554 | if (.not. rtdb_put( rtdb, ctmp, mt_int,mx_atm*mx_atm, mon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) task_bsse.F:562:53: 438 | if (.not. rtdb_put(rtdb, 'dft:mult', mt_int, 1, mult)) | 2 ...... 562 | if (.not. rtdb_put( rtdb, ctmp, mt_int ,nmon, mmon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling task_jefftce.F... Compiling task_ncc.F... Compiling task_rfcf.F... task_rfcf.F:117:61: 80 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 117 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling task_gwmol.F... task_gwmol.F:82:53: 74 | if (rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 2 ...... 82 | if (.not.rtdb_get(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_gwmol.F:131:58: 41 | if (.not. rtdb_put( rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 131 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cputime)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/task' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwctask.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwctask.a task_energy.o task_gradient.o task_optimize.o task_freq.o task_hessian.o task_dynamics.o task_thermo.o task_et.o task_save_state.o task.o task_input.o task_shell_input.o task_num_grad.o task_vscf.o task_property.o task_dntmc.o task_bsse.o task_jefftce.o task_ncc.o task_rfcf.o task_gwmol.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwctask.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwctask.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/task' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/task' Making libraries in symmetry gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/symmetry' Compiling dosymops.F... Compiling gensym.f... Compiling gensym_extra.F... gensym_extra.F:59:10: 59 | if (lgth.gt.0) then | ^ Warning: 'lgth' is used uninitialized [-Wuninitialized] gensym_extra.F:32:22: 32 | integer iop,lgth,unitf,print_level,i,j | ^ note: 'lgth' was declared here Compiling sym_vec_sym.F... Compiling ludcmp.F... Compiling mprint.f... Compiling opprint.f... Compiling sym_put_geom.F... Compiling spgen.F... Compiling sym_map.F... Compiling sym_nwc.F... Compiling sym_apply_op.F... Compiling sym_get_cart.F... Compiling sym_grp_name.F... Compiling sym_ap_cart.F... Compiling sym_cent_map.F... Compiling sym_num_ops.F... Compiling sym_ops_get.F... Compiling sym_op_get.F... Compiling sym_pr_all.F... Compiling sym_geom_prj.F... Compiling cross_prod.F... Compiling sym_op_cname.F... Compiling sym_pr_ops.F... Compiling deter3.F... Compiling sym_op_clsfy.F... Compiling sym_tr_bs_op.F... Compiling sym_bs_irrep.F... Compiling sym_op_type.F... Compiling sym_char_tab.F... Compiling sym_pr_ctab.F... Compiling sym_inv_op.F... Compiling sym_mo_adapt.F... sym_mo_adapt.F:324:30: 323 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 324 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_g_sym.F... Compiling wrcell.F... Compiling dctr.f... Compiling sym_irrepname.F... Compiling sym_abelian.F... Compiling sym_mol.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/symmetry' Compiling sym_sym.F... Compiling sym_mo_ap_op.F... Compiling sym_bas_op.F... Compiling sym_bs_ir_id.F... Compiling sym_sh_pair.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/symmetry' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/symmetry' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a dosymops.o gensym.o gensym_extra.o sym_vec_sym.o ludcmp.o mprint.o opprint.o sym_put_geom.o spgen.o sym_map.o sym_nwc.o sym_apply_op.o sym_get_cart.o sym_grp_name.o sym_ap_cart.o sym_cent_map.o sym_num_ops.o sym_ops_get.o sym_op_get.o sym_pr_all.o sym_geom_prj.o cross_prod.o sym_op_cname.o sym_pr_ops.o deter3.o sym_op_clsfy.o sym_tr_bs_op.o sym_bs_irrep.o sym_op_type.o sym_char_tab.o sym_pr_ctab.o sym_inv_op.o sym_mo_adapt.o sym_g_sym.o wrcell.o dctr.o sym_irrepname.o sym_abelian.o sym_mol.o sym_sym.o sym_mo_ap_op.o sym_bas_op.o sym_bs_ir_id.o sym_sh_pair.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/symmetry' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/symmetry' Making libraries in util gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/util' Compiling output.f... Compiling errquit.F... Compiling ffflush.F... Compiling print_center.F... Compiling util_flush.F... Compiling util_sgroup.F... util_sgroup.F:168:54: 166 | if(.not.rtdb_put(rtdb,'dft:largenode',mt_log,1,.true.)) | 2 167 | & call errquit('util_sggo: rtdb_put nodisk failed',1,RTDB_ERR) 168 | if (.not. rtdb_put(rtdb, 'dft:noio', mt_int, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling util_host.c... Compiling util_date.c... Compiling input_echo.F... Compiling util_transpose.F... Compiling ga_iter_diag.F... Compiling ga_maxelt.F... Compiling nga_idamax.F... Compiling ga_pcg_min.F... Compiling line_search.F... Compiling ga_orth_vec.F... Compiling ga_ran_fill.F... ga_ran_fill.F:40:53: 35 | call ga_put(g_a, ibot, itop, j, j, buf, bufsiz) | 2 ...... 40 | call ga_put(g_a, ibot, itop, j, j, zbuf, bufsiz) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling ga_mix.F... Compiling ga_list.F... Compiling ga_it_proj.F... Compiling ga_screen.F... Compiling ga_get_diag.F... Compiling fortchar.c... Compiling seq_output.F... Compiling ga_mat2col.F... Compiling util_ch_brd.F... util_ch_brd.F:35:42: 31 | call ga_brdcst(type, ls, mitob1, origin) | 2 ...... 35 | if (ls .gt. 0) call ga_brdcst(type, c, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling two_ind_trn.F... Compiling util_pname.F... Compiling sread.F... Compiling swrite.F... swrite.F:17:62: 17 | if (left.ne.0) call errquit('swrite: left .ne. 0',left, DISK_ERR) | 1 ...... 25 | 20 call errquit('sswrit: error writing to unit ', itape, DISK_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). Compiling banner.f... Compiling util_print.F... Compiling util_module_avail.F... cp util_v_stub.F util_version.F Compiling util_version.F... Compiling util_nwchem_version.F... Compiling util_ga_version.F... Compiling util_nwchem_paper.F... Compiling util_nwchem_srcdir.F... Compiling utilc_nwchem_srcdir.c... Compiling mk_fit_xf.F... Compiling int_2c_ga.F... Compiling ma_solve.F... Compiling ga_local_mdot.F... ga_local_mdot.F:148:36: 63 | call dfill(nva*nvb, 0.0d0, dbl_mb(k_work), 1) | 2 ...... 148 | call dfill(nva*nvb, 0.0d0, dcpl_mb(k_work), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling util_cpusec.F... Compiling util_wallsec.F... Compiling gather.f... Compiling scatter.f... Compiling ga_trace_dg.F... Compiling lcopy.f... Compiling util_legal.F... Compiling util_file_name.F... Compiling util_io_unit.F... Compiling util_speak.c... Compiling util_rtdb_speak.F... Compiling util_file_copy.c... util_file_copy.c:86:22: warning: unused variable 'msgnread' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~~~ util_file_copy.c:86:34: warning: unused variable 'msgbuf' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~ 2 warnings generated. Compiling util_file_unlink.c... Compiling util_system.c... Compiling util_sleep.c... Compiling util_rtdb_state.F... Compiling ecce_print.c... Compiling util_random.F... Compiling util_job.F... Compiling util_getenv.F... Compiling util_getarg.F... Compiling util_nwchemrc.F... Compiling util_md.F... util_md.F:118:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 118 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:184:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 184 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:257:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 257 | if(lpara) call ga_dgop(mag_d09,rms0,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) util_md.F:323:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') | 2 ...... 323 | if(lpara) call ga_dgop(mag_d11,rms1,1,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling util_md_c.c... Compiling util_md_sockets.c... Compiling dgewr.F... Compiling atoi.F... Compiling indint.F... Compiling util_wall_remain.c... Compiling ga_normf.F... Compiling corr_mk_ref.F... corr_mk_ref.F:384:14: 156 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 384 | $ NFrzVir) ) Then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nw_inp_from_file.F... Compiling bgj.F... bgj.F:399:60: 69 | & 1, itype)) then | 2 ...... 399 | if(.not.rtdb_get(bgj_rtdb,'dft:dontcare',mt_log, 1,dontcare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling movecs_ecce.F... movecs_ecce.F:122:38: 120 | call ecce_print1(ceval, mt_dbl, eval, nmo) | 2 121 | call ecce_print1(cocc, mt_dbl, occ, nmo) 122 | call ecce_print1(csym, mt_int, sym, nmo) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling get_density.F... Compiling moeig_read.F... moeig_read.F:69:45: 67 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 68 | if (ok .eq. 1) then 69 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling util_debug.c... Compiling util_erf.F... Compiling util_cflush.c... Compiling util_ascii_plot.F... Compiling util_length_scale.F... Compiling ga_it2.F... ga_it2.F:969:55: 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 ...... 969 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, za, maxmaxsub) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:993:51: 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 ...... 993 | $ call ga_get(g_c, 1, nsub-1, 1, 1, zc, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:994:32: 988 | call ga_brdcst(1, c, mdtob_nsub1, 0) | 2 ...... 994 | call ga_brdcst(1, zc, 2*mdtob_nsub1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1022:36: 1009 | call ga_add_patch( c(isub), g_y, 1, n, isub, isub, | 2 ...... 1022 | call ga_add_patch( zc(isub), g_y, 1, n, isub, isub, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_it2.F:1039:35: 923 | call ga_scale(g_delta, mone) | 2 ...... 1039 | call ga_scale(g_delta, trust/rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_it2.F:124:53: 124 | call ga_get(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 987 | $ call ga_get(g_c, 1, nsub-1, 1, 1, c, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:126:53: 126 | call ga_put(g_x, i, i, ivec, ivec, x, 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1286:55: 472 | if (.not.rtdb_get(rtdb,'cphf:acc',mt_dbl,1,acc)) acc=1d-4*tol | 2 ...... 1286 | if (.not.rtdb_get(rtdb,'solver:restart',mt_int,1,restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ga_it2.F:189:41: 189 | call ga_put(g_a, i, i, i, i, 0.5*dble(i), 1) | 1 ...... 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ga_it2.F:1324:60: 596 | if (.not. rtdb_put(rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 1324 | if (.not. rtdb_put(rtdb, 'solver:restart', MT_int, 1, restr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling ga_lkain_ext.F... Compiling ma_print.F... Compiling freeze_input.F... freeze_input.F:83:51: 59 | if (.not. rtdb_put(rtdb, key, mt_log, 1, .true.)) | 2 ...... 83 | if(.not. rtdb_put(rtdb, key, mt_int, 1, num_elem)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ga_extra.F... ga_extra.F:52:47: 44 | call ga_get(g_a, i, i, j, j, number, 1) | 2 ...... 52 | call ga_get(g_a, i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ga_extra.F:54:46: 46 | call ga_put(g_a,i, i, j, j, number, 1) | 2 ...... 54 | call ga_put(g_a,i, i, j, j, znumber, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling util_test.F... Compiling util_ga_test.F... util_ga_test.F:1198:35: 1198 | call ga_get(g_a, 1, n, 1, n, b, n) | 1 ...... 1560 | call ga_get(g_a, 1, n, 1, n, b, n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). util_ga_test.F:1232:52: 1232 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 1 ...... 1594 | call ga_put(g_a, ilo, ihi, jlo, jhi, a(ilo, jlo), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(4)). util_ga_test.F:891:52: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:891:68: 891 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 1 ...... 1700 | call ga_acc(g_a, ilo, ihi, jlo, jhi, b(ilo, jlo), n, x) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:975:25: 975 | call ga_scale(g_a, factor) | 1 ...... 1818 | call ga_scale(g_a, 0.123) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1012:29: 1012 | call ga_gather(g_a, v, iv, jv, m) | 1 ...... 1870 | call ga_gather(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1044:30: 1044 | call ga_scatter(g_a, v, iv, jv, m) | 1 ...... 1903 | call ga_scatter(g_a, v, iv, jv, m) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:18: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_ga_test.F:1078:38: 1078 | call ga_add((0.1d0,-.1d0), g_a, (0.9d0,-.9d0), g_b, g_b) | 1 ...... 1771 | call ga_add(0.1, g_a, 0.9, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). Compiling util.c... util.c:220:6: warning: variable 'offset1' is used uninitialized whenever 'if' condition is false [-Wsometimes-uninitialized] 220 | if(j==0){ | ^~~~ util.c:224:11: note: uninitialized use occurs here 224 | idx1 -= offset1; | ^~~~~~~ util.c:220:3: note: remove the 'if' if its condition is always true 220 | if(j==0){ | ^~~~~~~~ util.c:215:30: note: initialize the variable 'offset1' to silence this warning 215 | Integer idx1, idx2, offset1, offset2; | ^ | = 0 util.c:220:6: warning: variable 'offset2' is used uninitialized whenever 'if' condition is false [-Wsometimes-uninitialized] 220 | if(j==0){ | ^~~~ util.c:225:11: note: uninitialized use occurs here 225 | idx2 -= offset2; | ^~~~~~~ util.c:220:3: note: remove the 'if' if its condition is always true 220 | if(j==0){ | ^~~~~~~~ util.c:215:39: note: initialize the variable 'offset2' to silence this warning 215 | Integer idx1, idx2, offset1, offset2; | ^ | = 0 util.c:309:6: warning: variable 'offset1' is used uninitialized whenever 'if' condition is false [-Wsometimes-uninitialized] 309 | if(j==0){ | ^~~~ util.c:312:11: note: uninitialized use occurs here 312 | idx1 -= offset1; | ^~~~~~~ util.c:309:3: note: remove the 'if' if its condition is always true 309 | if(j==0){ | ^~~~~~~~ util.c:304:24: note: initialize the variable 'offset1' to silence this warning 304 | Integer idx1, offset1; | ^ | = 0 3 warnings generated. Compiling util_patch_test.F... util_patch_test.F:626:42: 626 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 1 ...... 1115 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:629:38: 629 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 1 ...... 1118 | call ga_get(g_a, 1,n/2, j,j, buf,n/2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:649:33: 649 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 1 ...... 1138 | call ga_put(g_a,1,n,j,j,a(1,j),n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:785:60: 785 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 1 ...... 1275 | call ga_scale_patch(g_b, bilo,bilo+n/2,bjlo, bjlo+n/3,val) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:821:24: 821 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 1 ...... 1312 | call ga_add_patch(alpha, g_a, ailo,ailo+n/2, ajlo, ajlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:822:25: 822 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 1 ...... 1313 | $ beta, g_b, bilo,bilo+n/2, bjlo, bjlo+n/3, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(4)). util_patch_test.F:403:36: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). util_patch_test.F:403:41: 403 | call ga_matmul_patch('n','n', 1d0, 0d0, | 1 ...... 890 | call ga_matmul_patch('n','n', (1d0,0d0), (0d0,0d0), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling util_ndim_test.F... Compiling util_perf_test.F... Compiling util_test_lu.F... Compiling util_test_eig.F... Compiling util_dra_test.F... util_dra_test.F:101:38: 101 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 1 ...... 236 | call ga_put(g_a, 1, n, j, j, a(1, j), n) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_dra_test.F:162:18: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_dra_test.F:162:26: 162 | call ga_add(1, g_a, -1, g_b, g_b) | 1 ...... 272 | call ga_add(1d0, g_a, -1d0, g_b, g_b) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling util_eaf_test.F... util_eaf_test.F:371:30: 190 | $ DMAP(iter), | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_eaf_test.F:371:38: 191 | $ buf(1), buf_sz)) | 2 ...... 371 | ierr = eaf_write(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). util_eaf_test.F:387:29: 219 | $ DMAP(iter), | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). util_eaf_test.F:387:37: 220 | $ buf2(1), buf_sz)) | 2 ...... 387 | ierr = eaf_read(fd, offset, buf, nwrite) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling util_sf_test.F... Compiling ga_lkain_2cpl3.F... ga_lkain_2cpl3.F:111:34: 95 | & converge_precond)) | 2 ...... 111 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ga_lkain_2cpl3.F:1259:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1259 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1275:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1275 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1301:22: 347 | if (odebug) call ga_print(g_a) | 2 ...... 1301 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ga_lkain_2cpl3.F:1025:14: 1025 | if (debug1) then | ^ Warning: 'debug1' may be used uninitialized [-Wmaybe-uninitialized] ga_lkain_2cpl3.F:602:20: 602 | logical debug1 | ^ note: 'debug1' was declared here Compiling util_io.F... Compiling util_xyz.F... Compiling util_ma.F... Compiling util_mpinap.c... Compiling ga_lkain_2cpl3_ext.F... ga_lkain_2cpl3_ext.F:5289:72: 5289 | & 'getdiffs_Az1z1: failed op ne +1 or -1') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:5297:72: 5297 | call errquit('getdiffs_Az1z1: failed nsub lt 6') | 1 Warning: Missing actual argument for argument '_formal_8' at (1) ga_lkain_2cpl3_ext.F:2495:44: 2495 | call ga_get(g_xr1,1,n2,ivec,ivec,dbl_mb(k_x),1) | 1 ...... 5811 | call ga_get(g_b,i,i,1,nvec,dcpl_mb(k_z),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:2363:53: 2363 | call ga_put(g_Ax1,idat ,idat ,ivec1,ivec1,val_re,1) | 1 ...... 6197 | call ga_put(g_a,i,i,j,j,number,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6128:27: 5698 | call ga_add_patch(one_cmplx,g_zr1,1,n1,1,nvec, | 2 ...... 6128 | call ga_add_patch(one,g_xr1 ,m1,m2,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:6129:27: 5699 | $ one_cmplx,g_z1 ,1,n1,p1,p2, | 2 ...... 6129 | $ one,g_x(ipm),1 ,n ,1,nvec, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ga_lkain_2cpl3_ext.F:123:34: 107 | & converge_precond)) | 2 ...... 123 | & acc)) acc = 1d-4*tol | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling util_dgeev.F... Compiling util_nwsort.F... Compiling util_mygabcast.c... Compiling util_getppn.c... Compiling util_units.F... Compiling util_align.F... Compiling util_intrsc2008.F... Compiling util_fadvise.c... ./util_scalapack_info.bash Compiling util_scalapack_info.F... Compiling ga_conjg.F... Compiling nwmolden.F... Compiling ao_1prdm_read.F... Compiling ao_1prdm_write.F... Compiling util_strips.F... Compiling util_poltensor.F... Compiling util_mygop.F... Compiling util_isnan.c... Compiling util_blasthreads.F... Compiling util_gpu_affinity.F... Compiling util_scalapack.F... Compiling util_norm2.F... Compiling util_dpofa.F... Compiling util_dgedi.F... Compiling linux_cpu.c... Compiling linux_shift.F... Compiling linux_random.c... Compiling erfc.c... Compiling linux_printaff.c... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/util' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Compiling ga_matpow.F... Compiling util_pack.F... util_pack.F:134:28: 77 | call ifill(ndo, 0, unpacked(i1-base), 1) | 2 ...... 134 | call ifill(ndo, 0, unpacked(i2-base), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/INTEGER(1)). Compiling dabssum.F... Compiling dabsmax.F... Compiling dfill.F... Compiling ifill.f... Compiling mabyte_fill.F... Compiling zfill.f... Compiling ga_it_lsolve.F... ga_it_lsolve.F:235:72: 235 | convg_ratio = rnorm/rnorm_prev | ^ Warning: 'rnorm_prev' may be used uninitialized [-Wmaybe-uninitialized] ga_it_lsolve.F:77:40: 77 | double precision rnorm, rnorm_prev, bnorm, convg_ratio | ^ note: 'rnorm_prev' was declared here Compiling ga_it_orth.F... Compiling ga_orthog.F... Compiling idamin.f... Compiling util_jacobi.F... Compiling util_rsg.f... util_rsg.f:102:16: 102 | if (e2(m) .le. c) go to 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:26: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'c' was declared here util_rsg.f:149:72: 149 | 210 p = d(l) + f | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] util_rsg.f:42:24: 42 | double precision b,c,f,g,h,p,r,s,t,util_epslon,util_pythag | ^ note: 'b' was declared here Compiling stpr_sjacobi.F... Compiling util_memcpy.c... Compiling ga_accback.c... Compiling ga_asymmetr.c... Compiling util_gnxtval.c... Compiling nxtask.F... nxtask.F:125:72: 125 | end | ^ Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] nxtask.F:36:30: 36 | integer function nxtask0(nproc, ichunk, skipfirst) | ^ note: '__result_nxtask0' was declared here Compiling util_mirror.F... util_mirror.F:24:23: 24 | call nga_inquire(g_a, type, ndim, dims) | 1 ...... 85 | call nga_inquire(g_a, type, ndim, dims) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_copy_dz.F... Compiling dgami.f... dgami.f:351:72: 351 | DCSEVL = 0.5D0*(B0-B2) | ^ Warning: 'b2' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:327:33: 327 | DOUBLE PRECISION B0, B1, B2, CS(*), ONEPL, TWOX, X, D1MACH | ^ note: 'b2' was declared here dgami.f:937:10: 937 | 20 IF (I .EQ. NOS) CALL XERMSG ('SLATEC', 'INITDS', | ^ Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] dgami.f:932:9: 932 | I = NOS + 1 - II | ^ note: 'i' was declared here Compiling util_eri_cholesky.F... Compiling util_test_cholesky.F... Compiling util_sillysort.F... Compiling util_talker.c... util_talker.c:23:19: warning: unused variable 'valread' [-Wunused-variable] 23 | int sock = 0, valread; | ^~~~~~~ 1 warning generated. Compiling icopy.f... Compiling dsum.f... Compiling dgefa.f... Compiling zsum.f... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/util' Making all in md5 gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/util/md5' Compiling md5wrap.c... md5wrap.c:116:13: warning: unused function 'checksum_string_to_sum' [-Wunused-function] 116 | static void checksum_string_to_sum(const char csum[33], unsigned char sum[16]) | ^~~~~~~~~~~~~~~~~~~~~~ 1 warning generated. Compiling md5.c... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/util/md5' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a md5wrap.o md5.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/util/md5' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/util/md5' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/util' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a output.o errquit.o ffflush.o print_center.o util_flush.o util_sgroup.o util_host.o util_date.o input_echo.o util_transpose.o ga_iter_diag.o ga_maxelt.o nga_idamax.o ga_pcg_min.o line_search.o ga_orth_vec.o ga_ran_fill.o ga_mix.o ga_list.o ga_it_proj.o ga_screen.o ga_get_diag.o fortchar.o seq_output.o ga_mat2col.o util_ch_brd.o two_ind_trn.o util_pname.o sread.o swrite.o banner.o util_print.o util_module_avail.o util_version.o util_nwchem_version.o util_ga_version.o util_nwchem_paper.o util_nwchem_srcdir.o utilc_nwchem_srcdir.o mk_fit_xf.o int_2c_ga.o ma_solve.o ga_local_mdot.o util_cpusec.o util_wallsec.o gather.o scatter.o ga_trace_dg.o lcopy.o util_legal.o util_file_name.o util_io_unit.o util_speak.o util_rtdb_speak.o util_file_copy.o util_file_unlink.o util_system.o util_sleep.o util_rtdb_state.o ecce_print.o util_random.o util_job.o util_getenv.o util_getarg.o util_nwchemrc.o util_md.o util_md_c.o util_md_sockets.o dgewr.o atoi.o indint.o util_wall_remain.o ga_normf.o corr_mk_ref.o nw_inp_from_file.o bgj.o movecs_ecce.o get_density.o moeig_read.o util_file_copy.o util_debug.o util_erf.o util_cflush.o util_ascii_plot.o util_length_scale.o ga_it2.o ga_lkain_ext.o ma_print.o freeze_input.o ga_extra.o util_test.o util_ga_test.o util.o util_patch_test.o util_ndim_test.o util_perf_test.o util_test_lu.o util_test_eig.o util_dra_test.o util_eaf_test.o util_sf_test.o ga_lkain_2cpl3.o util_io.o util_xyz.o util_ma.o util_mpinap.o ga_lkain_2cpl3_ext.o util_dgeev.o util_nwsort.o util_mygabcast.o util_getppn.o util_units.o util_align.o util_intrsc2008.o util_fadvise.o util_scalapack_info.o ga_conjg.o nwmolden.o ao_1prdm_read.o ao_1prdm_write.o util_strips.o util_poltensor.o util_mygop.o util_isnan.o util_blasthreads.o util_gpu_affinity.o util_scalapack.o util_norm2.o util_dpofa.o util_dgedi.o linux_cpu.o linux_shift.o linux_random.o erfc.o linux_printaff.o ga_matpow.o util_pack.o dabssum.o dabsmax.o dfill.o ifill.o mabyte_fill.o zfill.o ga_it_lsolve.o ga_it_orth.o ga_orthog.o idamin.o util_jacobi.o util_rsg.o stpr_sjacobi.o util_memcpy.o ga_accback.o ga_asymmetr.o util_gnxtval.o nxtask.o util_mirror.o ga_copy_dz.o dgami.o util_eri_cholesky.o util_test_cholesky.o util_sillysort.o util_talker.o icopy.o dsum.o dgefa.o zsum.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwcutil.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/util' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/util' Making libraries in peigs gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/peigs' (/usr/local/bin/gmake lib ) || exit 1 gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/peigs' (cd ./src/c; /usr/local/bin/gmake) gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/peigs/src/c' Compiling clustrfix.c... clustrfix.c:365:49: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~~ ^~~~~~~~~~~~~~~~ | %ld clustrfix.c:365:67: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~~ ^~~~~~~~~~~~~~~~~~ | %ld clustrfix.c:365:87: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~~ ^~~~~~~~~~~~~~~~~~ | %ld clustrfix.c:365:107: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 365 | printf(" cptr c1 %d cn %d b1 %d bn %d \n", clustr_info[jjj], clustr_info[jjj+1], clustr_info[jjj+2], clustr_info[jjj+3]); | ~~ ^~~~~~~~~~~~~~~~~~ | %ld clustrfix.c:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] 127 | Integer jblk, nblk; | ^ clustrfix.c:128:23: warning: variable 'num_all_cls' set but not used [-Wunused-but-set-variable] 128 | Integer j, num_cls, num_all_cls; | ^ clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 134 | Integer me; | ^ clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 139 | DoublePrecision eps, xj1, xj2; | ^ clustrfix.c:62:16: warning: unused function 'clustr_check' [-Wunused-function] 62 | static Integer clustr_check(c1, cn, imin, imax) | ^~~~~~~~~~~~ 9 warnings generated. Compiling mgscs.c... mgscs.c:184:70: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 184 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); | ~~ ^~ | %ld 1 warning generated. Compiling pscale.c... pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^ pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] 231 | Integer il, linfo, me, | ^ pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^ pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] 232 | nproc, msize, maxinfo; | ^ 4 warnings generated. Compiling clustrxx5.c... clustrxx5.c:128:19: warning: variable 'ime' set but not used [-Wunused-but-set-variable] 128 | myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; | ^ clustrxx5.c:128:45: warning: variable 'ival' set but not used [-Wunused-but-set-variable] 128 | myindx, ime, itype, nvecs, isize, ival, first, ibad, itmp; | ^ 2 warnings generated. Compiling clustrxx4.c... clustrxx4.c:78:15: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^ clustrxx4.c:78:23: warning: variable 'Zvec' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^ clustrxx4.c:84:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 84 | DoublePrecision eps; | ^ 3 warnings generated. Compiling pstein4.c... Compiling pstein5.c... pstein5.c:233:11: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 233 | msg, me, -linfo ); | ^~ pstein5.c:233:15: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 233 | msg, me, -linfo ); | ^~~~~~ pstein5.c:301:11: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~~ | %ld 301 | msg, me, -linfo); | ^~ pstein5.c:301:15: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~~ | %ld 301 | msg, me, -linfo); | ^~~~~~ pstein5.c:445:6: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~~ | %ld 445 | me, isize, neigval ); | ^~ pstein5.c:445:10: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~~ | %ld 445 | me, isize, neigval ); | ^~~~~ pstein5.c:445:17: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~~ | %ld 445 | me, isize, neigval ); | ^~~~~~~ 7 warnings generated. Compiling peigs_dlasq1.c... peigs_dlasq1.c:33:45: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 33 | printf(" error in ylasq1 info = %d \n", *info ); | ~~ ^~~~~ | %ld peigs_dlasq1.c:34:38: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 34 | sprintf( filename, "pdspevx.%d", me); | ~~ ^~ | %ld peigs_dlasq1.c:37:47: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 37 | fprintf(file, " %d %20.16f %20.16f \n", iii, dplus[iii], lplus[iii]); | ~~ ^~~ | %ld peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 12 | Integer i, j, iii, me, nproc; | ^ 4 warnings generated. Compiling b_ortho.c... b_ortho.c:191:15: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~~ | %ld 191 | *m, *n, me); | ^~ b_ortho.c:191:19: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~~ | %ld 191 | *m, *n, me); | ^~ b_ortho.c:191:23: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", | ~~ | %ld 191 | *m, *n, me); | ^~ 3 warnings generated. Compiling chol_bcst.c... chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 97 | Integer *junk, k, isize; | ^ 1 warning generated. Compiling choleski9.c... choleski9.c:292:9: warning: variable 'length' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^ choleski9.c:292:17: warning: variable 'root' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^ 2 warnings generated. Compiling ci_entry.c... ci_entry.c:122:62: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 122 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~~ ^~~ | %ld ci_entry.c:145:52: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 145 | printf("PeIGS: ci_entry_ :node %d : i < j \n", *me); | ~~ ^~~ | %ld ci_entry.c:231:62: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 231 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~~ ^~~ | %ld ci_entry.c:254:53: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 254 | printf( "PeIGS: ci_entry_ :node %d : i < j \n", *me); | ~~ ^~~ | %ld ci_entry.c:321:75: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~~ ^~~ | %ld ci_entry.c:321:80: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~~ ^~~ | %ld ci_entry.c:321:85: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 321 | printf(" Node %d Error in ci_size arg 1 with me = %d mxnprc = %d \n", iam, *me, mxnprc_()); | ~~ ^~~~~~~~~ | %ld ci_entry.c:335:61: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 335 | printf(" Peigs: ci_size_ node %d : Mapping problem\n", *me); | ~~ ^~~ | %ld ci_entry.c:396:72: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 396 | printf(" Peigs: fil_mapvec_ node %d : first argument is NULL \n", mxmynd_()); | ~~ ^~~~~~~~~ | %ld ci_entry.c:397:39: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 397 | printf("me = %d fil_mapvec_ \n", *me); | ~~ ^~~ | %ld ci_entry.c:402:81: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~~ ^~~~~~~~~ | %ld ci_entry.c:402:92: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~~ ^~~ | %ld ci_entry.c:403:33: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 403 | printf("fil_mapvec_ %d \n", i); | ~~ ^ | %ld ci_entry.c:408:71: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 408 | printf(" Peigs: fil_mapvec_ node %d : 2nd argument is NULL i\n", *me); | ~~ ^~~ | %ld ci_entry.c:409:33: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 409 | printf("fil_mapvec_ %d \n", i); | ~~ ^ | %ld ci_entry.c:413:92: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 413 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem second argument is invalid \n", *me); | ~~ ^~~ | %ld ci_entry.c:414:33: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 414 | printf("fil_mapvec_ %d \n", i); | ~~ ^ | %ld ci_entry.c:418:64: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 418 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); | ~~ ^~~ | %ld ci_entry.c:420:33: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 420 | printf("fil_mapvec_ %d \n", i); | ~~ ^ | %ld ci_entry.c:427:71: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 427 | printf(" Peigs: fil_mapvec_ node %d : 3rd argument error. \n", *me); | ~~ ^~~ | %ld ci_entry.c:428:35: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 428 | printf("fil_mapvec_ %d \n", i); | ~~ ^ | %ld ci_entry.c:432:64: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 432 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem\n", *me); | ~~ ^~~ | %ld ci_entry.c:433:69: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 433 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~~ ^~~ | %ld ci_entry.c:435:33: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 435 | printf("fil_mapvec_ %d \n", i); | ~~ ^ | %ld ci_entry.c:446:66: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 446 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~~ ^~~ | %ld ci_entry.c:447:30: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 447 | printf("fil_mapvec_ %d \n", i); | ~~ ^ | %ld 26 warnings generated. Compiling conjug22.c... conjug22.c:94:34: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 94 | Integer i, me, nvecsA, nvecsB, linfo, id; | ^ conjug22.c:95:41: warning: variable 'iptr' set but not used [-Wunused-but-set-variable] 95 | Integer *iscrat, *mapvecA, *mapvecB, *iptr; | ^ 2 warnings generated. Compiling de_sym.c... de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] 250 | Integer indx, jndx, j, k, icount; | ^ 1 warning generated. Compiling exit.c... exit.c:78:77: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 78 | fprintf(stderr, "G_EXIT2: Node %d Error. A routine called g_exit2_, \n", me); | ~~ ^~ | %ld exit.c:79:79: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 79 | fprintf(stderr, "Message from calling routine: %s node id = %d \n", array, me); | ~~ ^~ | %ld exit.c:151:109: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 151 | fprintf(stderr, "G_EXIT: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); | ~~ ^~ | %ld exit.c:164:75: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 164 | fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); | ~~ ^~ | %ld exit.c:164:79: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 164 | fprintf(stderr, " %s My node id = %d info = %d (g_exit_) \n", array, me, *n); | ~~ ^~ | %ld 5 warnings generated. Compiling exit2.c... exit2.c:61:73: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); | ~~ ^~ | %ld exit2.c:61:77: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); | ~~ ^~~~~ | %ld 2 warnings generated. Compiling forLL.c... Compiling forLU.c... Compiling gmax.c... Compiling inverse.c... inverse.c:91:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 91 | Integer *junk, *ptr, k, isize; | ^ inverse.c:283:12: warning: absolute value function 'abs' given an argument of type 'Integer' (aka 'long') but has parameter of type 'int' which may cause truncation of value [-Wabsolute-value] 283 | linfo = -abs(linfo); | ^ inverse.c:283:12: note: use function 'labs' instead 283 | linfo = -abs(linfo); | ^~~ | labs inverse.c:225:11: warning: variable 'length' set but not used [-Wunused-but-set-variable] 225 | Integer length; | ^ 3 warnings generated. Compiling lu_mxm2.c... Compiling mapdif.c... mapdif.c:77:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 77 | Integer me; | ^ 1 warning generated. Compiling mapdif1.c... mapdif1.c:79:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 79 | Integer me; | ^ 1 warning generated. Compiling matmax.c... Compiling mdif2b.c... Compiling mdiff1.c... Compiling mdiff2.c... Compiling memreq.c... memreq.c:181:66: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 181 | fprintf(stderr, " me = %d error in mapB in memreq.c \n",me); | ~~ ^~ | %ld memreq.c:197:64: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 197 | fprintf(stderr, " me = %d error in mapZ in memreq.c \n",me); | ~~ ^~ | %ld memreq.c:100:41: warning: variable 'd_clustrf' set but not used [-Wunused-but-set-variable] 100 | d_dstebz, d_pstebz, d_clustrf, d_inv_it, | ^ memreq.c:103:21: warning: variable 'ptr_dstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^ memreq.c:103:33: warning: variable 'ptr_pstebz' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^ memreq.c:103:45: warning: variable 'ptr_clustrf' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^ memreq.c:103:58: warning: variable 'ptr_inv_it' set but not used [-Wunused-but-set-variable] 103 | ptr_dstebz, ptr_pstebz, ptr_clustrf, ptr_inv_it, | ^ memreq.c:104:21: warning: variable 'ptr_mgs' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^ memreq.c:104:30: warning: variable 'ptr_clustrinv' set but not used [-Wunused-but-set-variable] 104 | ptr_mgs, ptr_clustrinv, ptr_pstein, ptr_pdsptri, | ^ memreq.c:105:21: warning: variable 'ptr_tred2' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^ memreq.c:105:32: warning: variable 'ptr_mxm25' set but not used [-Wunused-but-set-variable] 105 | ptr_tred2, ptr_mxm25, ptr_pdspevx; | ^ memreq.c:109:59: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 109 | Integer nvecsA, nvecsQ, nvecsQ_max, nvecsZ, nvecsZ_max, nvecsB; | ^ 12 warnings generated. Compiling memreq_f.c... memreq_f.c:168:60: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 168 | fprintf(stderr, " me = %d error in mapB in fmemreq.c \n", me); | ~~ ^~ | %ld memreq_f.c:184:64: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 184 | fprintf(stderr, " me = %d error in mapZ in fmemreq.c \n",me); | ~~ ^~ | %ld 2 warnings generated. Compiling mgs5.c... Compiling mxm25.c... Compiling mxm5x.c... Compiling mxm88.c... Compiling mxm_ll1.c... Compiling onenorm.c... Compiling ortho.c... ortho.c:163:15: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~~ | %ld 163 | *m, *n, me); | ^~ ortho.c:163:19: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~~ | %ld 163 | *m, *n, me); | ^~ ortho.c:163:23: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", | ~~ | %ld 163 | *m, *n, me); | ^~ 3 warnings generated. Compiling pdspev_c.c... pdspev_c.c:287:79: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); | ~~ ^~ | %ld pdspev_c.c:287:83: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); | ~~ ^~~~~~ | %ld pdspev_c.c:316:21: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~~ | %ld 316 | msg, me, -linfo); | ^~ pdspev_c.c:316:25: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~~ | %ld 316 | msg, me, -linfo); | ^~~~~~ pdspev_c.c:342:22: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~~ | %ld 342 | msg, me, -linfo); | ^~ pdspev_c.c:342:26: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~~ | %ld 342 | msg, me, -linfo); | ^~~~~~ pdspev_c.c:357:62: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 357 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); | ~~ ^~ | %ld pdspev_c.c:382:79: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 382 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~~ ^~ | %ld pdspev_c.c:206:28: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 206 | iub, nproc, isize, nvecsA, nvecsZ, linfo, maxinfo, | ^ 9 warnings generated. Compiling pdspevx.c... pdspevx.c:353:38: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 353 | sprintf( filename, "pdspevx.%d", me); | ~~ ^~ | %ld pdspevx.c:414:14: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 414 | msg, me, -linfo ); | ^~ pdspevx.c:414:18: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 414 | msg, me, -linfo ); | ^~~~~~ pdspevx.c:456:22: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 455 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~~ | %ld 456 | msg, me, -linfo); | ^~ pdspevx.c:456:26: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 455 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~~ | %ld 456 | msg, me, -linfo); | ^~~~~~ pdspevx.c:483:22: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 482 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~~ | %ld 483 | msg, me, -linfo); | ^~ pdspevx.c:483:26: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 482 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~~ | %ld 483 | msg, me, -linfo); | ^~~~~~ pdspevx.c:498:62: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 498 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); | ~~ ^~ | %ld pdspevx.c:523:79: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 523 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~~ ^~ | %ld pdspevx.c:937:72: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~~ ^~ | %ld pdspevx.c:937:76: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~~ ^~~~~ | %ld pdspevx.c:1068:74: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~~ ^~ | %ld pdspevx.c:1068:78: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~~ ^~~~~ | %ld pdspevx.c:266:7: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 266 | nproc, itmp, | ^ pdspevx.c:267:14: warning: variable 'nZ2' set but not used [-Wunused-but-set-variable] 267 | isize, nZ2, | ^ pdspevx.c:268:7: warning: variable 'mapZ_0' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^ pdspevx.c:268:39: warning: variable 'nvecsZ2' set but not used [-Wunused-but-set-variable] 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, | ^ pdspevx.c:278:21: warning: variable 'fnormA' set but not used [-Wunused-but-set-variable] 278 | DoublePrecision fnormA; | ^ pdspevx.c:288:37: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^ pdspevx.c:288:42: warning: variable 'rmin' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^ pdspevx.c:288:48: warning: variable 'rmax' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^ pdspevx.c:288:54: warning: variable 'anrm' set but not used [-Wunused-but-set-variable] 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; | ^ pdspevx.c:289:13: warning: variable 'iscale' set but not used [-Wunused-but-set-variable] 289 | Integer iscale; | ^ pdspevx.c:816:9: warning: variable 'neigval' is used uninitialized whenever 'if' condition is false [-Wsometimes-uninitialized] 816 | if (nvecsZ > 0){ | ^~~~~~~~~~ pdspevx.c:959:16: note: uninitialized use occurs here 959 | *meigval = neigval; | ^~~~~~~ pdspevx.c:816:5: note: remove the 'if' if its condition is always true 816 | if (nvecsZ > 0){ | ^~~~~~~~~~~~~~~ pdspevx.c:265:70: note: initialize the variable 'neigval' to silence this warning 265 | Integer iii, k, me, nn_proc, indx, msize, nsplit, neigval, | ^ | = 0 24 warnings generated. Compiling pdspgv_c.c... pdspgv_c.c:320:21: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 320 | msg, me, -linfo ); | ^~ pdspgv_c.c:320:25: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 320 | msg, me, -linfo ); | ^~~~~~ pdspgv_c.c:353:23: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~~ | %ld 353 | msg, me, -linfo); | ^~ pdspgv_c.c:353:27: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~~ | %ld 353 | msg, me, -linfo); | ^~~~~~ pdspgv_c.c:387:23: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~~ | %ld 387 | msg, me, -linfo); | ^~ pdspgv_c.c:387:27: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~~ | %ld 387 | msg, me, -linfo); | ^~~~~~ pdspgv_c.c:406:65: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 406 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); | ~~ ^~ | %ld pdspgv_c.c:432:80: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 432 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~~ ^~ | %ld pdspgv_c.c:229:50: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 229 | Integer i, j, k, isize, msize, me, nproc; | ^ 9 warnings generated. Compiling pdspgvx.c... pdspgvx.c:423:19: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 423 | msg, me, -linfo ); | ^~ pdspgvx.c:423:23: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 423 | msg, me, -linfo ); | ^~~~~~ pdspgvx.c:467:21: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~~ | %ld 467 | msg, me, -linfo); | ^~ pdspgvx.c:467:25: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~~ | %ld 467 | msg, me, -linfo); | ^~~~~~ pdspgvx.c:513:21: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~~ | %ld 513 | msg, me, -linfo); | ^~ pdspgvx.c:513:25: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~~ | %ld 513 | msg, me, -linfo); | ^~~~~~ pdspgvx.c:532:63: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 532 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); | ~~ ^~ | %ld pdspgvx.c:557:78: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 557 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~~ ^~ | %ld pdspgvx.c:710:76: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~~ ^~ | %ld pdspgvx.c:710:80: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~~ ^~~~~ | %ld pdspgvx.c:740:78: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~~ ^~ | %ld pdspgvx.c:740:82: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~~ ^~~~~ | %ld pdspgvx.c:828:73: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~~ ^~ | %ld pdspgvx.c:828:77: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~~ ^~~~~ | %ld 14 warnings generated. Compiling pdsptri.c... pdsptri.c:351:20: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 351 | msg, me, -linfo ); | ^~ pdsptri.c:351:24: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 351 | msg, me, -linfo ); | ^~~~~~ pdsptri.c:414:21: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~~ | %ld 414 | msg, me, -linfo); | ^~ pdsptri.c:414:25: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~~ | %ld 414 | msg, me, -linfo); | ^~~~~~ pdsptri.c:534:72: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~~ ^~ | %ld pdsptri.c:534:76: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~~ ^~~~~ | %ld pdsptri.c:573:74: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~~ ^~ | %ld pdsptri.c:573:78: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); | ~~ ^~~~~ | %ld 8 warnings generated. Compiling peigs_cmod.f... Compiling pipe_fut.c... pipe_fut.c:85:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 85 | Integer *junk, *ptr, k, isize; | ^ 1 warning generated. Compiling pmmLSL.c... pmmLSL.c:92:64: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 92 | Integer i, k, me, isize, indx, i_A, i_B, nvecsA, nvecsB; | ^ 1 warning generated. Compiling pmmLUL.c... pmmLUL.c:96:73: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 96 | Integer i, k, me, isize, isize0, indx, i_A, i_B, nvecsA, nvecsB; | ^ 1 warning generated. Compiling pmmlsl2.c... pmmlsl2.c:90:48: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 90 | Integer me, isize, indx, nvecsA, nvecsB; | ^ pmmlsl2.c:91:28: warning: variable 'scratch' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision *d_ptr, *scratch, *buff, **b_ptr, **matrix2; | ^ 2 warnings generated. Compiling pxerbla.c... pxerbla.c:128:110: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 128 | fprintf(stderr, "PXERBLA: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); | ~~ ^~ | %ld pxerbla.c:168:12: warning: absolute value function 'abs' given an argument of type 'Integer' (aka 'long') but has parameter of type 'int' which may cause truncation of value [-Wabsolute-value] 168 | indx = abs(indx); | ^ pxerbla.c:168:12: note: use function 'labs' instead 168 | indx = abs(indx); | ^~~ | labs 2 warnings generated. Compiling qsort.c... Compiling resid.c... Compiling residual.c... Compiling sfnorm.c... Compiling shellsort.c... Compiling soluf.c... soluf.c:91:19: warning: variable 'safeulp' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision safeulp; | ^ 1 warning generated. Compiling sonenorm.c... Compiling soort.c... Compiling sort.c... sort.c:43:18: warning: variable 'k' set but not used [-Wunused-but-set-variable] 43 | Integer i, j, *k; | ^ 1 warning generated. Compiling sorteig.c... sorteig.c:61:27: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 61 | Integer me, naproc, nvecsZ, indx, jj, isaved, jlast, itmp, | ^ 1 warning generated. Compiling tred22.c... tred22.c:328:70: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 328 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); | ~~ ^~ | %ld tred22.c:354:50: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 354 | sprintf(msg, "TRED22:Error in argument %d \n", linfo); | ~~ ^~~~~ | %ld 2 warnings generated. Compiling treesort3.c... treesort3.c:109:12: warning: variable 'junk' set but not used [-Wunused-but-set-variable] 109 | Integer *junk, k, num_indx; | ^ 1 warning generated. Compiling tresid.c... tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] 118 | DoublePrecision t, derror, normA, ulp, dumb; | ^ 1 warning generated. Compiling util.c... Compiling xerbla.c... xerbla.c:45:39: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 45 | fprintf(stdout, " processor %d \n", mxmynd_()); | ~~ ^~~~~~~~~ | %ld xerbla.c:47:19: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 46 | fprintf(stdout, " ** On entry to %s parameter number %d had an illegal value or pointer \n", | ~~ | %ld 47 | string, *info ); | ^~~~~ 2 warnings generated. Compiling mapchk.c... mapchk.c:64:6: warning: misleading indentation; statement is not part of the previous 'for' [-Wmisleading-indentation] 64 | iptr++; | ^ mapchk.c:59:3: note: previous statement is here 59 | for (indx = 0; indx < *n; indx++ ) | ^ 1 warning generated. Compiling pdiff.c... pdiff.c:104:71: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 104 | fprintf( stderr, " Error in pdiff. me = %d not in proclist. \n", me ); | ~~ ^~ | %ld pdiff.c:128:10: warning: absolute value function 'abs' given an argument of type 'Integer' (aka 'long') but has parameter of type 'int' which may cause truncation of value [-Wabsolute-value] 128 | indx = abs(indx); | ^ pdiff.c:128:10: note: use function 'labs' instead 128 | indx = abs(indx); | ^~~ | labs pdiff.c:132:26: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 131 | fprintf( stderr, " %s %s is different on processors %d and %d \n", | ~~ | %ld 132 | msg1, msg2, me, last_proc ); | ^~ pdiff.c:132:30: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 131 | fprintf( stderr, " %s %s is different on processors %d and %d \n", | ~~ | %ld 132 | msg1, msg2, me, last_proc ); | ^~~~~~~~~ 4 warnings generated. Compiling pgexit.c... pgexit.c:85:66: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 85 | fprintf( stderr, " %s me = %d exiting via pgexit. \n", msg, mxmynd_() ); | ~~ ^~~~~~~~~ | %ld 1 warning generated. Compiling reducemap.c... Compiling pstebz10.c... pstebz10.c:225:5: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 225 | nproc, msize, maxinfo, *i_work, *proclist; | ^ pstebz10.c:226:11: warning: variable 'j' set but not used [-Wunused-but-set-variable] 226 | Integer j, i, i1split, jsplit, blksz; | ^ pstebz10.c:229:19: warning: variable 'ulp' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^ pstebz10.c:229:24: warning: variable 'safemn' set but not used [-Wunused-but-set-variable] 229 | DoublePrecision ulp, safemn, onenrm; | ^ pstebz10.c:244:20: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 244 | DoublePrecision eps, tmp; | ^ 5 warnings generated. Compiling pstebz11.c... pstebz11.c:221:19: warning: unused variable 'cptr' [-Wunused-variable] 221 | char msg[35], *cptr; | ^~~~ pstebz11.c:225:20: warning: unused variable 'indx' [-Wunused-variable] 225 | Integer indx, il, iu, ifakeme, itype, | ^~~~ pstebz11.c:226:34: warning: unused variable 'ival' [-Wunused-variable] 226 | nhigh, numeig, irem, isize, ival, linfo, | ^~~~ pstebz11.c:227:30: warning: unused variable 'k' [-Wunused-variable] 227 | iii, m, nlow, me, ncol, k, nn_procs, | ^ pstebz11.c:228:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 228 | nproc, msize, maxinfo, *i_work, *proclist; | ^ pstebz11.c:246:26: warning: variable 'reig' set but not used [-Wunused-but-set-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^ pstebz11.c:246:37: warning: unused variable 'shift' [-Wunused-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; | ^~~~~ 7 warnings generated. Compiling inv_it4.c... inv_it4.c:76:43: warning: variable 'indrv5' set but not used [-Wunused-but-set-variable] 76 | Integer indrv1, indrv2, indrv3, indrv4, indrv5; | ^ inv_it4.c:78:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 78 | DoublePrecision xj, sep; | ^ 2 warnings generated. Compiling inv_it5.c... inv_it5.c:72:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 72 | DoublePrecision xj, sep; | ^ 1 warning generated. Compiling inv_it3.c... Compiling peigs_tldlfact.c... Compiling clustrf5.c... clustrf5.c:188:19: warning: variable 'ortol' set but not used [-Wunused-but-set-variable] 188 | DoublePrecision ortol, xj, sepfine; | ^ 1 warning generated. Compiling r_ritz.c... r_ritz.c:32:20: warning: variable 'dptr' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^ r_ritz.c:32:27: warning: variable 'dscrat' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^ 2 warnings generated. Compiling gdot.F... ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpeigs.a clustrfix.o mgscs.o pscale.o clustrxx5.o clustrxx4.o pstein4.o pstein5.o peigs_dlasq1.o b_ortho.o chol_bcst.o choleski9.o ci_entry.o conjug22.o de_sym.o exit.o exit2.o forLL.o forLU.o gmax.o inverse.o lu_mxm2.o mapdif.o mapdif1.o matmax.o mdif2b.o mdiff1.o mdiff2.o memreq.o memreq_f.o mgs5.o mxm25.o mxm5x.o mxm88.o mxm_ll1.o onenorm.o ortho.o pdspev_c.o pdspevx.o pdspgv_c.o pdspgvx.o pdsptri.o peigs_cmod.o pipe_fut.o pmmLSL.o pmmLUL.o pmmlsl2.o pxerbla.o qsort.o resid.o residual.o sfnorm.o shellsort.o soluf.o sonenorm.o soort.o sort.o sorteig.o tred22.o treesort3.o tresid.o util.o xerbla.o mapchk.o pdiff.o pgexit.o reducemap.o pstebz10.o pstebz11.o inv_it4.o inv_it5.o inv_it3.o peigs_tldlfact.o clustrf5.o r_ritz.o gdot.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpeigs.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/peigs/src/c' (cd ./src/f77; /usr/local/bin/gmake) gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/peigs/src/f77' Compiling inverm.F... inverm.F:497:72: 497 | IC = ICD | ^ Warning: 'icd' may be used uninitialized [-Wmaybe-uninitialized] inverm.F:422:22: 422 | INTEGER I,IC,ICD,IC0,IC1,IC2,MK1,MK2,MMAX | ^ note: 'icd' was declared here Compiling damax.f... Compiling dlaebz2.F... Compiling dstebz3.F... dstebz3.F:501:18: 501 | IF( GU.LT.WL ) THEN | ^ Warning: 'wl' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:58: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wl' was declared here dstebz3.F:507:72: 507 | GU = MIN( GU, WU ) | ^ Warning: 'wu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:67: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wu' was declared here dstebz3.F:570:39: 570 | IF( W( JE ).LE.WLU .AND. IDISCL.GT.0 ) THEN | ^ Warning: 'wlu' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:63: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wlu' was declared here dstebz3.F:572:44: 572 | ELSE IF( W( JE ).GE.WUL .AND. IDISCU.GT.0 ) THEN | ^ Warning: 'wul' may be used uninitialized [-Wmaybe-uninitialized] dstebz3.F:194:72: 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wul' was declared here Compiling heapsort.f... Compiling neblw2.F... neblw2.F:123:72: 123 | RETURN | ^ Warning: '__result_neblw2' may be used uninitialized [-Wmaybe-uninitialized] neblw2.F:35:29: 35 | INTEGER FUNCTION NEBLW2(N, V, D, E, WORK, INFO ) | ^ note: '__result_neblw2' was declared here Compiling dgetavec.F... Compiling dgetavec2.f... Compiling dgetavec3.f... Compiling types1.f... Compiling xerbl2.f... Compiling menode.f... Compiling pairup.f... Compiling xstop.f... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/peigs/src/f77' (cd ./comm; /usr/local/bin/gmake) gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/peigs/comm' Compiling mxbrod.F... mxbrod.F:141:72: 141 | dstsrc = mylpos - srcpos | ^ Warning: 'srcpos' may be used uninitialized [-Wmaybe-uninitialized] mxbrod.F:84:20: 84 | integer srcpos | ^ note: 'srcpos' was declared here Compiling mxcombv1.F... mxcombv1.F:135:28: 135 | integer prtnr, prtlpos | ^ Warning: 'prtlpos' may be used uninitialized [-Wmaybe-uninitialized] Compiling mxsubs.F... mxsubs.F:571:21: 571 | ireslt = mxwrit (data,isize,ito,itype) | ^ Warning: 'ireslt' may be used uninitialized [-Wmaybe-uninitialized] Compiling sum.F... Compiling maxx.F... Compiling peigs_dgop.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/peigs/comm' (cd ./ctof; /usr/local/bin/gmake) gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/peigs/ctof' Compiling bortho_f.c... bortho_f.c:121:15: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~~ | %ld 121 | *m, *n, me); | ^~ bortho_f.c:121:19: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~~ | %ld 121 | *m, *n, me); | ^~ bortho_f.c:121:23: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", | ~~ | %ld 121 | *m, *n, me); | ^~ 3 warnings generated. Compiling mxm25_f.c... Compiling mxm5x_f.c... Compiling mxm88_f.c... Compiling onenorm_f.c... Compiling ortho_f.c... ortho_f.c:116:15: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~~ | %ld 116 | *m, *n, me); | ^~ ortho_f.c:116:19: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~~ | %ld 116 | *m, *n, me); | ^~ ortho_f.c:116:23: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", | ~~ | %ld 116 | *m, *n, me); | ^~ 3 warnings generated. Compiling pdspev_f.c... pdspev_f.c:148:19: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 148 | msg, me, -linfo ); | ^~ pdspev_f.c:148:23: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 148 | msg, me, -linfo ); | ^~~~~~ pdspev_f.c:159:69: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 159 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~~ ^~ | %ld 3 warnings generated. Compiling pdspevx_f.c... pdspevx_f.c:171:23: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 170 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 171 | msg, me, -linfo ); | ^~ pdspevx_f.c:171:27: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 170 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 171 | msg, me, -linfo ); | ^~~~~~ pdspevx_f.c:182:71: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 182 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~~ ^~ | %ld 3 warnings generated. Compiling pdspgv_f.c... pdspgv_f.c:160:20: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 160 | msg, me, -linfo ); | ^~ pdspgv_f.c:160:24: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 160 | msg, me, -linfo ); | ^~~~~~ pdspgv_f.c:172:71: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 172 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~~ ^~ | %ld 3 warnings generated. Compiling pdspgvx_f.c... pdspgvx_f.c:180:20: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 180 | msg, me, -linfo ); | ^~ pdspgvx_f.c:180:24: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~~ | %ld 180 | msg, me, -linfo ); | ^~~~~~ pdspgvx_f.c:192:69: warning: format specifies type 'int' but the argument has type 'Integer' (aka 'long') [-Wformat] 192 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~~ ^~ | %ld 3 warnings generated. Compiling resid_f.c... Compiling residual_f.c... Compiling sonenorm_f.c... Compiling tresid_f.c... Compiling choleski_f.c... Compiling inverse_f.c... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/peigs/ctof' rm -f libpeigs.a ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpeigs.a comm/*.o ctof/*.o src/c/*.o src/f77/*.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpeigs.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpeigs.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/peigs' touch peigs_stamp.LINUX64 gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/peigs' Making libraries in perfm gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' Compiling perfm_start.F... Compiling perfm_end.F... Compiling perfm_flop.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' Compiling dist.c... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libperfm.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libperfm.a perfm_start.o perfm_end.o perfm_flop.o dist.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libperfm.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libperfm.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libperfm.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' Making libraries in bq gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/bq' Compiling bq_input.F... bq_input.F:49:56: 49 | if (.not. rtdb_get(rtdb, 'bq:max_nbq', mt_int, 1, max_nbq)) | 1 ...... 523 | & mt_dbl,ncenter_tmp,charge)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling bq_data.F... Compiling bq_rtdb.F... bq_rtdb.F:109:50: 102 | if(.not. rtdb_put(irtdb,tag,mt_int,1,ncent)) | 2 ...... 109 | if(.not. rtdb_put(irtdb,tag,mt_dbl,3*ncent,dbl_mb(i_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling bq_main.F... Compiling bq_force.F... Compiling bq_checksum.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/bq' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libbq.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libbq.a bq_input.o bq_data.o bq_rtdb.o bq_main.o bq_force.o bq_checksum.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libbq.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libbq.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libbq.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/bq' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/bq' Making libraries in cons gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cons' Compiling cons_input.F... Compiling cons.F... cons.F:564:20: 564 | > mt_int,1,nfa) | 1 ...... 925 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling cons_utils.F... Compiling cons_springs.F... cons_springs.F:184:52: 60 | status=rtdb_get(rtdb,tag_n,mt_int,1,nhb) | 2 ...... 184 | if(rtdb_get(rtdb, 'cons:simulate', mt_log, 1, status)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling cons_rtdb.F... cons_rtdb.F:1041:21: 1014 | if(.not.rtdb_get(rtdb,tag_n,mt_int,1,nc)) then | 2 ...... 1041 | > mt_dbl,nc,dbl_mb(i_tmp_k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cons_rtdb.F:31:41: 25 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 31 | if(.not.rtdb_put(rtdb,tag,mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cons_data.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cons' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcons.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcons.a cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcons.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcons.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcons.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cons' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cons' Making libraries in NWints gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints' Compiling intgrl_input.F... Making all in simint gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint' Making all in module gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/module' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/module' Compiling nwcsim_module.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/module' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/module' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a nwcsim_module.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/module' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/module' Making all in source gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/source' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/source' Compiling nwcsim_facef90.F... Compiling nwcsim_hf2.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/source' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/source' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a nwcsim_facef90.o nwcsim_hf2.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/source' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint/source' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/simint' Making all in api gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/api' Compiling cando_sp.F... cando_sp.F:294:0: 294 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :15:0: note: this is the location of the previous definition Compiling exact_mem.F... exact_mem.F:71:54: 62 | if (.not.(rtdb_get(rtdb,'int:full_mem',Mt_Log,1,o_do_full))) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'int:mem2emax',Mt_Int,1,mem2emax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling exactd_mem.F... Compiling int_1cg.F... Compiling int_1e3ov.F... Compiling int_1estv.F... Compiling int_2e2c.F... int_2e2c.F:58:0: 58 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :15:0: note: this is the location of the previous definition Compiling int_2e3c.F... Compiling int_acc.F... Compiling int_canon.F... Compiling int_chk_init.F... Compiling int_chk_sh.F... Compiling int_func_c.F... Compiling int_init.F... int_init.F:82:47: 82 | if (rtdb_get(rtdb,'int:acc_std',mt_dbl,1,val_int_acc_std)) then | 1 ...... 309 | if (rtdb_get(rtdb,'int:cando_sp',MT_LOG,1,status)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling int_l1e3ov.F... Compiling int_l1eall.F... Compiling int_l1eh1.F... Compiling int_l1eke.F... Compiling int_l1eov.F... Compiling int_l1epe.F... Compiling int_l2e2c.F... Compiling int_l2e3c.F... Compiling int_lgen1e.F... Compiling int_mem.F... Compiling int_mpolel.F... Compiling int_mpole.F... Compiling int_nint.F... Compiling int_pgen1e.F... Compiling int_projpole.F... Compiling int_term.F... Compiling intd_1eh1.F... Compiling intd_1eov.F... Compiling intd_1eke.F... Compiling int_1er.F... Compiling intd_2e2c.F... Compiling intd_2e3c.F... Compiling intd_2e4c.F... intd_2e4c.F:258:33: 258 | call ycopy((nint_ck*3*4),0.0d00,0,eri,1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:286:21: 286 | call ycopy(3,0.0d00,0,roff,1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intd_2e4c.F:307:31: 307 | call ycopy(nintzero, 0.0d0, 0, eri, 1) | 1 ...... 565 | call ycopy((nint_x*lda),eri,1,scr,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intd_init.F... intd_init.F:368:50: 198 | if (rtdb_get(rtdb,'intd:cando_txs',MT_LOG,1,status)) | 2 ...... 368 | if (rtdb_get(rtdb,'intd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling intd_1e3ov.F... Compiling intbd_init4c.F... Compiling intbd_2e4c.F... intbd_2e4c.F:283:29: 227 | call ycopy (numint,eri,1,scr,1) | 2 ...... 283 | call ycopy((12*nint_s),0.0d00,0,eri,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) intbd_2e4c.F:293:32: 227 | call ycopy (numint,eri,1,scr,1) | 2 ...... 293 | call ycopy((3*nint_s),0.0d00,0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling intbdd_init4c.F... Compiling intbdd_2e4c.F... intbdd_2e4c.F:236:25: 236 | call ycopy (numint,eri,1,scr,1) | 1 ...... 286 | call ycopy((78*nint_s),0.0d00,0,eri,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling intd_mpolel.F... Compiling intdd_1eh1.F... Compiling intdd_1eov.F... Compiling intdd_2e2c.F... Compiling intdd_2e4c.F... Compiling intdd_2e3c.F... Compiling intdd_init.F... intdd_init.F:228:51: 96 | if (rtdb_get(rtdb,'intdd:cando_txs',MT_LOG,1,status)) | 2 ...... 228 | if (rtdb_get(rtdb,'intdd:approxmem',MT_INT,1,intd_memtmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling intp_1eke.F... Compiling intp_1eov.F... Compiling intp_1epe.F... Compiling intp_2e2c.F... Compiling intp_2e3c.F... Compiling intp_mpole.F... Compiling intp_1e1cpe.F... Compiling intp_2e3ct.F... Compiling intp_mpolel.F... Compiling intp_txyz.F... Compiling intpd_1e1cpe.F... Compiling intpd_1eke.F... Compiling intpd_1eov.F... Compiling intpd_1epe.F... Compiling intpd_2e2c.F... Compiling intpd_2e3c.F... Compiling intpd_2e3ct.F... Compiling intpd_mpolel.F... Compiling intso_1e.F... Compiling intd_1eso.F... Compiling int_1epvpe.F... Compiling int_1epxvpe.F... Compiling int_vstat1e.F... Compiling intdd_1eecp1.F... Compiling int_1eelec.F... Compiling int_giaoh01.F... Compiling int_giaoh11.F... Compiling int_giaol10.F... Compiling int_giaos10.F... Compiling int_giaotv10.F... Compiling int_giaobq10.F... Compiling int_giao_2e.F... Compiling int_pso.F... Compiling int_dso.F... Compiling int_ops.F... Compiling intd_1epot.F... Compiling intd_1epot_cosmo.F... Compiling int_veloc.F... Compiling int_angmom.F... Compiling int_giaos100.F... Compiling cosmo_screen.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/api' Compiling int_hf1sp.F... int_hf1sp.F:597:56: 597 | c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ | Warning: backslash and newline separated by space Compiling int_l2e4c.F... Compiling intb_init4c.F... Compiling intb_2e4c.F... Compiling int_2e4c.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/api' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/api' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a cando_sp.o exact_mem.o exactd_mem.o int_1cg.o int_1e3ov.o int_1estv.o int_2e2c.o int_2e3c.o int_acc.o int_canon.o int_chk_init.o int_chk_sh.o int_func_c.o int_init.o int_l1e3ov.o int_l1eall.o int_l1eh1.o int_l1eke.o int_l1eov.o int_l1epe.o int_l2e2c.o int_l2e3c.o int_lgen1e.o int_mem.o int_mpolel.o int_mpole.o int_nint.o int_pgen1e.o int_projpole.o int_term.o intd_1eh1.o intd_1eov.o intd_1eke.o int_1er.o intd_2e2c.o intd_2e3c.o intd_2e4c.o intd_init.o intd_1e3ov.o intbd_init4c.o intbd_2e4c.o intbdd_init4c.o intbdd_2e4c.o intd_mpolel.o intdd_1eh1.o intdd_1eov.o intdd_2e2c.o intdd_2e4c.o intdd_2e3c.o intdd_init.o intp_1eke.o intp_1eov.o intp_1epe.o intp_2e2c.o intp_2e3c.o intp_mpole.o intp_1e1cpe.o intp_2e3ct.o intp_mpolel.o intp_txyz.o intpd_1e1cpe.o intpd_1eke.o intpd_1eov.o intpd_1epe.o intpd_2e2c.o intpd_2e3c.o intpd_2e3ct.o intpd_mpolel.o intso_1e.o intd_1eso.o int_1epvpe.o int_1epxvpe.o int_vstat1e.o intdd_1eecp1.o int_1eelec.o int_giaoh01.o int_giaoh11.o int_giaol10.o int_giaos10.o int_giaotv10.o int_giaobq10.o int_giao_2e.o int_pso.o int_dso.o int_ops.o intd_1epot.o intd_1epot_cosmo.o int_veloc.o int_angmom.o int_giaos100.o cosmo_screen.o int_hf1sp.o int_l2e4c.o intb_init4c.o intb_2e4c.o int_2e4c.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/api' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/api' Making all in int gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/int' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/int' Compiling hf3PEabc.F... Compiling hf3mkr.f... Compiling hf3pot.F... Compiling defNxyz.F... Compiling getNxyz.F... Compiling matchNxyz.F... Compiling hf1.F... hf1.F:190:72: 190 | i_ptr = i_Ep + 3*NPP*(MXD+1)*lprod | ^ Warning: 'npp' may be used uninitialized [-Wmaybe-uninitialized] hf1.F:31:25: 31 | integer MXD,NCP,NPP,La2,Lb2,Li,Lp,Lp3,MaxMem,nintlocal,lprod,nd | ^ note: 'npp' declared here Compiling hf1mke3.f... Compiling hf1mkr.f... Compiling hf1set3.F... Compiling hf2.F... Compiling hf2mkr.F... Compiling hf2oi.f... Compiling hf3OIs.f... Compiling hfabc.f... Compiling hfctr3.f... Compiling hferi.F... Compiling hferi_gen.F... Compiling hfkei.f... Compiling hfmke.F... Compiling hfmkr.F... Compiling hfnai.f... Compiling hfset.F... Compiling igamma.F... Compiling hf_print.f... Compiling hfreord_pq.f... Compiling hf1_tran.F... Compiling hf1_er.F... Compiling hfnai_er.F... Compiling case_impl.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/int' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/int' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a hf3PEabc.o hf3mkr.o hf3pot.o defNxyz.o getNxyz.o matchNxyz.o hf1.o hf1mke3.o hf1mkr.o hf1set3.o hf2.o hf2mkr.o hf2oi.o hf3OIs.o hfabc.o hfctr3.o hferi.o hferi_gen.o hfkei.o hfmke.o hfmkr.o hfnai.o hfset.o igamma.o hf_print.o hfreord_pq.o hf1_tran.o hf1_er.o hfnai_er.o case_impl.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/int' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/int' Making all in auxil gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/auxil' Compiling do_chk_sum.F... Compiling intb_chk_sum.F... intb_chk_sum.F:129:21: 72 | if (rtdb_get(rtdb,'intcsum:b2e4cprint',MT_LOG,1,dumm69)) then | 2 ...... 129 | & MT_INT,1,int_tmp)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling xlmcoeff.F... Compiling xlm_norm.F... Compiling int_spcart2.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/auxil' Compiling int_norm.F... Compiling nmcoef.F... Compiling int_norm_2c.F... Compiling int_chk_sum.F... Compiling int_spcart.F... int_spcart.F:824:39: 824 | call ycopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:935:45: 935 | call ycopy((ndima*ndimb*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:704:39: 704 | call ycopy((ndima*(2*ls+1)*ngls),0.0d00,0,blockout,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3050:27: 3050 | call ycopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:324:29: 324 | call ycopy((ld2s*ld2s),0.0d00,0,dbl_mb(k_ov),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:328:33: 328 | call ycopy((ld2s*(2*ld+1)),0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3155:20: 3155 | call ycopy (3,0.0d00,0,xyz,1) ! do it at the origin | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3186:26: 3186 | call ycopy(scr_size,0.0d00,0,dbl_mb(k_scr),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3191:33: 3191 | call ycopy((rankov*rankov),0.0d00,0,overlap,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:414:34: 414 | call ycopy ((2*Ld+1)*(Ld+1),0.0d00,0,cart_scale,1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:79:27: 79 | call ycopy(size_sp2c,0.0d00,0,dbl_mb(k_sp2c),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:113:30: 113 | call ycopy(l_block_size,0.0d00,0,dbl_mb(k_sp2c_cmp),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:121:30: 121 | call ycopy(l_block_size,0.0d00,0,dbl_mb(k_invsp2c_cmp),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:130:43: 130 | call ycopy(((2*lmaxin+1)*(lmaxin+1)),0.0d00,0, | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) int_spcart.F:3113:29: 3113 | call ycopy((ni*nj),0.0d00,0,dbl_mb(k_slice),1) | 1 ...... 3694 | call ycopy(dimijk,scr,1,buf,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling nmcoef2c.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/auxil' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/auxil' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a do_chk_sum.o intb_chk_sum.o xlmcoeff.o xlm_norm.o int_spcart2.o int_norm.o nmcoef.o int_norm_2c.o int_chk_sum.o int_spcart.o nmcoef2c.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/auxil' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/auxil' Making all in ints_sp gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ints_sp' Compiling sp1111.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ints_sp' Compiling genr70.F... Compiling init70.F... Compiling qout70.F... Compiling sinfo.F... Compiling sp0000.F... Compiling sp0001.F... Compiling sp0011.F... Compiling sp0101.F... Compiling sp0111.F... Compiling tabgen.f... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ints_sp' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ints_sp' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a sp1111.o genr70.o init70.o qout70.o sinfo.o sp0000.o sp0001.o sp0011.o sp0101.o sp0111.o tabgen.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ints_sp' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ints_sp' Making all in deriv gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/deriv' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/deriv' Compiling hf1d.F... Compiling hf2d.F... Compiling hfd2oi.f... Compiling hfderi.F... hfderi.F:246:16: 246 | if( kl.gt.ij ) go to 480 | ^ Warning: 'ij' may be used uninitialized [-Wmaybe-uninitialized] hfderi.F:120:15: 120 | ij = (ma*(ma-1))/2 + mb | ^ note: 'ij' was declared here Compiling hfdkei.F... Compiling hfdnai.f... Compiling hfefi.f... Compiling hf2d_2a.F... Compiling hf2d_2b.F... Compiling hf2d_2a2b.F... Compiling hf2d_3a.F... Compiling hf2d_3a2b.F... Compiling hf2d_all.F... Compiling hf1PRtoAB.f... Compiling hf2PRtoAB.f... Compiling hf2QStoCD.f... Compiling hfd3oi.F... Compiling hf1d_cosmo.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/deriv' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/deriv' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a hf1d.o hf2d.o hfd2oi.o hfderi.o hfdkei.o hfdnai.o hfefi.o hf2d_2a.o hf2d_2b.o hf2d_2a2b.o hf2d_3a.o hf2d_3a2b.o hf2d_all.o hf1PRtoAB.o hf2PRtoAB.o hf2QStoCD.o hfd3oi.o hf1d_cosmo.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/deriv' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/deriv' Making all in texas gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/texas' Compiling abcd.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/texas' Compiling texas_face.F... texas_face.F:1064:72: 1064 | * iprint,ncs,inx(inxx),ntxs_scr_size) | 1 Warning: Type mismatch in argument 'ishell_blk' at (1); passed REAL(8) to INTEGER(8) texas_face.F:1463:48: 1353 | if (rtdb_get(rtdb,'int:txs:icheck',MT_INT,1,int_tmp)) then | 2 ...... 1463 | if (rtdb_get(rtdb,'int:txs:limi',MT_INT,3,rtdblim)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) texas_face.F:1552:19: 1552 | common /ganz/ ll9(9) ,na,nn4(4) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (112 vs 672 bytes) texas_face.F:1159:19: 1159 | common /ganz/ lcore,iov,last,nganz(67) | 1 Warning: Named COMMON block 'ganz' at (1) shall be of the same size as elsewhere (560 vs 672 bytes) texas_face.F:523:25: 523 | common /ctxs_index/ maxsh,ifp,inx(mxsh) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (1520016 vs 24 bytes) texas_face.F:1757:25: 1757 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) texas_face.F:1917:25: 1917 | common /ctxs_index/ maxsh,ifp,inx(1) | 1 Warning: Named COMMON block 'ctxs_index' at (1) shall be of the same size as elsewhere (24 vs 1520016 bytes) Compiling texas_hf.F... texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'ncshell' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'icstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'jcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'kcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) | 1 Warning: Type mismatch in argument 'lcstxs' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isupblk' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:470:72: 470 | * bl(iqorder),bl(isblpoin) ) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'itxspnl' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:485:72: 485 | * bl(iqorder),ngcont) | 1 Warning: Type mismatch in argument 'iqorder' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_size' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:493:72: 493 | call supblks_point(nsupblk,bl(isblsize),bl(isblpoint)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxsize' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'maxpair' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_point' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klblock' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:512:72: 512 | * bl(isbl_split),isplit ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:521:72: 521 | call blk_capab(nbl2,bl(npard),bl(isblsize),nquart,nquartot) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:937:72: 937 | call tfer_i(bltxs(mxsize_R),blscr(mxsize), mxsize_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:938:72: 938 | call tfer_i(bltxs(mxpair_R),blscr(mxpair), mxpair_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:939:72: 939 | call tfer_i(bltxs(nblock1_R),blscr(nblock1), nblock1_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ia' at (1); passed REAL(8) to INTEGER(8) texas_hf.F:941:72: 941 | * (bltxs(nblock1_back_R),blscr(nblock1_back), nblock1_back_S ) | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) Compiling big_service.F... big_service.F:805:72: 805 | s=zero | ^ Warning: 'zero' is used uninitialized [-Wuninitialized] big_service.F:805:12: 805 | s=zero | ^ note: 'zero' was declared here Compiling getmem.F... Compiling amshift.F... amshift.F:82:72: 82 | call make_indxx(bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:141:72: 141 | * bl(indxx),lni*lnj,lnk*lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:168:72: 168 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:180:72: 180 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:195:72: 195 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:219:72: 219 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:251:72: 251 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:299:72: 299 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) amshift.F:341:72: 341 | * bl(indxx),lni,lnj,lnk,lnl) | 1 Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) Compiling assemblx.F... assemblx.F:1438:72: 1438 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1456:72: 1456 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1473:72: 1473 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1491:72: 1491 | * bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1506:72: 1506 | * bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1519:72: 1519 | * bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1531:72: 1531 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1543:72: 1543 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1555:72: 1555 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1567:72: 1567 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1582:72: 1582 | * lck,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1593:72: 1593 | * lcl,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1604:72: 1604 | * lci,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1615:72: 1615 | * lcj,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:1626:72: 1626 | * lcij,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:698:72: 698 | * bl(idx1),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:715:72: 715 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:733:72: 733 | * bl(idx2),bl(indx), ijenx,klenx) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:748:72: 748 | * bl(idx1),bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:761:72: 761 | * bl(idx2),bl(indx), ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:773:72: 773 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:785:72: 785 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:797:72: 797 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:809:72: 809 | * bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:824:72: 824 | * lck,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:835:72: 835 | * lcl,lcij,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:846:72: 846 | * lci,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:857:72: 857 | * lcj,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx1' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'idx2' at (1); passed REAL(8) to INTEGER(8) assemblx.F:868:72: 868 | * lcij,lckl,npij,npkl,bl(idx1),bl(idx2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:55:72: 55 | * bl(ibuf2),bl(indx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:64:72: 64 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:69:72: 69 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:76:72: 76 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:81:72: 81 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:91:72: 91 | * bl(iaax),bl(ibbx),bl(iccx),bl(iexpo)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) assemblx.F:96:72: 96 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) Compiling spec_block.F... spec_block.F:84:72: 84 | * bl(nblock1),nbl1,nbl2,nbl4) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) | 1 Warning: Type mismatch in argument 'nblock1_back' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:114:72: 114 | call blk_pairs(nbl1,nbl2,bl(nblock1),bl(npard)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) spec_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'mxpair' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_block.F:41:72: 41 | call block_info(inx,bl(nblock1),bl(npard),nbl2) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(8) spec_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) Compiling cshneg.f... Compiling d_datlog.F... Compiling spec_calcint.F... spec_calcint.F:102:72: 102 | call doblock2(ibl,bl(ijblock),idoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:106:72: 106 | call doblock2(kbl,bl(klblock),jdoit) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:111:72: 111 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:114:72: 114 | * isbdo,bl(isbl_split) ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:126:72: 126 | call get_nparts(isupb,bl(isbl_part),nparts) | 1 Warning: Type mismatch in argument 'isbl_part' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:134:72: 134 | * bl(isbl_copy) ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:136:72: 136 | * bl(isbl_copy),maxsize) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:158:72: 158 | * bl(ijpres2),bl(klpres2) ) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'isbl_copy' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:180:72: 180 | * ibl,bl(ijblock),igo_back ) | 1 Warning: Type mismatch in argument 'ijblock' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nibl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkbl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nijb' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nije' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nklb' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblok1' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:255:72: 255 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nqrt' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:379:72: 379 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'klpres2' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:386:72: 386 | * bl(ijpres2),bl(klpres2),bl(isymm),nblok1,nqrt) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:406:72: 406 | * bl(isymm),nblspec) | 1 Warning: Type mismatch in argument 'ijklpres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxkl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'ipres' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:551:72: 551 | * bl(idx1),bl(idx2),bl(isymm),bl(indxp),nblsp) | 1 Warning: Type mismatch in argument 'indxp' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1404:72: 1404 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1455:72: 1455 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1459:72: 1459 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:893:72: 893 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:897:72: 897 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1793:72: 1793 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1815:72: 1815 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1819:72: 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_s' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) | 1 Warning: Type mismatch in argument 'isbl_p' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'isbl_q' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:1241:72: 1241 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_ij' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:2234:72: 2234 | * bl(map_ij),bl(map_kl) ) | 1 Warning: Type mismatch in argument 'map_kl' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'npar' at (1); passed REAL(8) to INTEGER(8) spec_calcint.F:41:72: 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) Compiling spec_destiny.F... Compiling memoha.F... Compiling precalc2.F... precalc2.F:34:72: 34 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:42:72: 42 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:75:72: 75 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:83:72: 83 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:312:72: 312 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:317:72: 317 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:336:72: 336 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:341:72: 341 | * nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:351:72: 351 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:357:72: 357 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1346:72: 1346 | * nij_uniqe,bl(ij_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1370:72: 1370 | * nkl_uniqe,bl(kl_uniqe_p) ) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'ij_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1390:72: 1390 | * nij_uniqe,bl(ij_uniqe_p),nkl_uniqe,bl(kl_uniqe_p)) | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) precalc2.F:1623:72: 1623 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1524:24: 1524 | est_ip=1.0d0 | ^ note: 'est_ip' was declared here precalc2.F:1621:72: 1621 | fctsp= abs( est_is*est_jp ) | ^ Warning: 'est_is' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1523:24: 1523 | est_is=csi | ^ note: 'est_is' was declared here precalc2.F:1623:72: 1623 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1549:24: 1549 | est_jp=1.0d0 | ^ note: 'est_jp' was declared here precalc2.F:1628:72: 1628 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:1606:25: 1606 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here precalc2.F:488:24: 488 | est_ip=1.d0 | ^ Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:579:72: 579 | fctpp= abs( est_ip*est_jp ) | ^ Warning: 'est_jp' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:517:24: 517 | est_jp=1.d0 | ^ note: 'est_jp' was declared here precalc2.F:584:72: 584 | factab=factab*contrij | ^ Warning: 'factab' may be used uninitialized [-Wmaybe-uninitialized] precalc2.F:562:25: 562 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here Compiling prepint.F... Compiling lab_reorder.F... Compiling rt123.F... Compiling shells.F... Compiling time.f... Compiling zeroint.F... zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:41:72: 41 | call setnot(nbls,nbls1,bl(indx),bl(idxnot),bl(idpres)) | 1 Warning: Type mismatch in argument 'idpres' at (1); passed REAL(8) to INTEGER(8) zeroint.F:45:72: 45 | call zerosp(lnijkl,nbls,bl(ibuf),bl(idxnot),nbls2,ngcd) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:57:72: 57 | * bl(ibut2),l01,l02,nfu(nqij)+1,nfu(nqkl)+1 ) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:70:72: 70 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:86:72: 86 | * bl(ibut2 ),lqij,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:101:72: 101 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:116:72: 116 | * bl(ibut2 ),l01,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:132:72: 132 | * bl(ibut2 ),lij3,l02,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:146:72: 146 | * bl(ibut2 ),l01,lkl3,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:160:72: 160 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:174:72: 174 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:188:72: 188 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:202:72: 202 | * bl(ibut2 ),lqij,lqkl,ijbeg,klbeg) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:218:72: 218 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:230:72: 230 | * bl(ibut2 ),lqmx,l3l,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:242:72: 242 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:254:72: 254 | * bl(ibut2 ),l3l,lqmx,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) zeroint.F:269:72: 269 | * bl(ibut2 ),lsss,lsss,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) Compiling missing.f... Compiling texas_stubs.F... texas_stubs.F:7:0: 7 | #define USE_TEXAS | Warning: "USE_TEXAS" redefined :15:0: note: this is the location of the previous definition Compiling uniq_pairs.F... uniq_pairs.F:73:72: 73 | call do_tmp1(isbl_size,isbl_q,ijpres2,bl(ij_temp),iqu ) | 1 Warning: Type mismatch in argument 'ij_temp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:74:72: 74 | call do_uniq(iqu,bl(ij_temp), ibl_uniqe ,ij_u) | 1 Warning: Type mismatch in argument 'itmp' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:40:72: 40 | * bl(ij_uniqe) , nij_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) uniq_pairs.F:42:72: 42 | * bl(kl_uniqe) , nkl_uniqe ) | 1 Warning: Type mismatch in argument 'ibl_uniqe' at (1); passed REAL(8) to INTEGER(8) Compiling transfor.F... Compiling gencon.f... gencon.f:352:72: 352 | * bl(indx),nbls1, ngcd,bl(igcoet) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:366:72: 366 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) gencon.f:370:72: 370 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) Compiling derivat.F... Compiling convert.f... Compiling test_calc2.f... Compiling screened_op.F... Compiling trobsa.F... trobsa.F:292:72: 292 | call find_unstable(stable,nbls1, bl(iq_u),nbls1_u) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:329:72: 329 | call copy_unstable_1(nbls1,bl(iq_u),nbls1_u,bl(irys),bl(iconst)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:364:72: 364 | * bl(irhocpd_u),bl(icdnix_u),bl(ixqnx_u),bl(ixwq_u)) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:372:72: 372 | * bl(ip1234),bl(iabcd),bl(ihabcdx) ) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:382:72: 382 | * bl(iwt0),bl(iwt0_u),lnij,lnkl) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixwp_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:319:36: 319 | call getmem(nbls1_u*3, ixwp_u ) ! xwp & xwq | ^ note: 'ixwp_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'ixpnx_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:318:37: 318 | call getmem(nbls1_u*3, ixpnx_u ) ! xpnx & xqnx | ^ note: 'ixpnx_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iabnix_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:317:45: 317 | call getmem(nbls1_u*(mmax_1), iabnix_u ) ! abnix & cdnix | ^ note: 'iabnix_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'irhoapb_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:316:37: 316 | call getmem(nbls1_u, irhoapb_u ) ! rhoapb & rhocpd | ^ note: 'irhoapb_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here trobsa.F:348:72: 348 | * bl(irhoapb_u),bl(iabnix_u),bl(ixpnx_u),bl(ixwp_u)) | ^ Warning: 'iq_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:291:31: 291 | call memo1_int(nbls1,iq_u) | ^ note: 'iq_u' declared here trobsa.F:353:72: 353 | * nsij,nskl,1) | ^ Warning: 'iwt0_u' may be used uninitialized [-Wmaybe-uninitialized] trobsa.F:315:44: 315 | call getmem(nbls1_u*lnij*lnkl, iwt0_u) | ^ note: 'iwt0_u' declared here gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/texas' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/texas' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a abcd.o texas_face.o texas_hf.o big_service.o getmem.o amshift.o assemblx.o spec_block.o cshneg.o d_datlog.o spec_calcint.o spec_destiny.o memoha.o precalc2.o prepint.o lab_reorder.o rt123.o shells.o time.o zeroint.o missing.o texas_stubs.o uniq_pairs.o transfor.o gencon.o derivat.o convert.o test_calc2.o screened_op.o trobsa.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/texas' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/texas' Making all in ecp gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ecp' Compiling ecp_sph_tens.f... Compiling int_ecp.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ecp' Compiling ecp_3j_prod.f... Compiling ecp_angint.f... Compiling ecp_angrad.f... Compiling ecp_bess_asy.F... Compiling ecp_bess_pow.f... Compiling ecp_bessel.f... Compiling ecp_c2slower.f... Compiling ecp_c2snorm.F... ecp_c2snorm.F:42:72: 42 | wa = wa/sqrt(wb*wc) | ^ Warning: 'wa' may be used uninitialized [-Wmaybe-uninitialized] ecp_c2snorm.F:20:25: 20 | double precision wa,wb,wc,zero,half | ^ note: 'wa' was declared here Compiling ecp_c2srecur.f... Compiling ecp_cart_xpd.F... ecp_cart_xpd.F:117:32: 102 | call ycopy(m-a+1,zero,0,tmp(ind_n,ind_m+1),n_n) | 2 ...... 117 | call ycopy (n_n*ind_m,tmp,1,coef(1,ind_s),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling ecp_contract.f... Compiling ecp_cstrans.F... Compiling ecp_down_m.f... Compiling ecp_gaussq.f... Compiling ecp_init_c2s.F... Compiling ecp_init_con.F... Compiling ecp_int0.F... Compiling ecp_int1.F... Compiling ecp_int2.F... Compiling ecp_integral.F... Compiling ecp_matpi.F... Compiling ecp_matpr.F... Compiling ecp_radint0.F... Compiling ecp_radint1.F... Compiling ecp_radint2.F... Compiling ecp_s2ccoef.f... Compiling ecp_s2cnorm.F... Compiling ecp_so_ang.F... Compiling ecp_t1_Q0asy.F... Compiling ecp_t1_Q0int.F... Compiling ecp_t1_Q0pow.F... Compiling ecp_t1_Q1asy.F... Compiling ecp_t1_Q1int.F... Compiling ecp_t1_Q1pow.F... Compiling ecp_t1_Q2int.F... Compiling ecp_t2_ghq.F... Compiling ecp_t2_init0.f... Compiling ecp_t2_init1.f... Compiling ecp_t2_init2.F... Compiling ecp_t2_p0pow.F... Compiling ecp_t2_p1pow.F... Compiling ecp_up_k.f... Compiling ecp_local0.F... Compiling ecp_local1.F... Compiling ecp_local2.F... Compiling ecp_locint1.F... ecp_locint1.F:56:42: 56 | & coeff_c(n_c),tol,wa,wb,wc,prefac | ^ Warning: 'prefac' may be used uninitialized [-Wmaybe-uninitialized] Compiling ecp_skipint.F... Compiling ecp_t1_Q3asy.F... Compiling ecp_t1_Q3int.F... Compiling ecp_t1_Q3pow.F... Compiling ecp_t1_Q4int.F... Compiling ecp_t2_init3.f... Compiling ecp_t2_init4.f... Compiling ecp_t2_p3pow.F... Compiling ecp_t2_p4pow.F... Compiling ecp_ind_var.f... Compiling ecp_gradient.F... Compiling ecp_grad_a.F... Compiling ecp_grad_b.F... Compiling ecp_hessian.F... Compiling ecp_int2_k.F... Compiling ecp_local2_k.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ecp' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ecp' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a ecp_sph_tens.o int_ecp.o ecp_3j_prod.o ecp_angint.o ecp_angrad.o ecp_bess_asy.o ecp_bess_pow.o ecp_bessel.o ecp_c2slower.o ecp_c2snorm.o ecp_c2srecur.o ecp_cart_xpd.o ecp_contract.o ecp_cstrans.o ecp_down_m.o ecp_gaussq.o ecp_init_c2s.o ecp_init_con.o ecp_int0.o ecp_int1.o ecp_int2.o ecp_integral.o ecp_matpi.o ecp_matpr.o ecp_radint0.o ecp_radint1.o ecp_radint2.o ecp_s2ccoef.o ecp_s2cnorm.o ecp_so_ang.o ecp_t1_Q0asy.o ecp_t1_Q0int.o ecp_t1_Q0pow.o ecp_t1_Q1asy.o ecp_t1_Q1int.o ecp_t1_Q1pow.o ecp_t1_Q2int.o ecp_t2_ghq.o ecp_t2_init0.o ecp_t2_init1.o ecp_t2_init2.o ecp_t2_p0pow.o ecp_t2_p1pow.o ecp_up_k.o ecp_local0.o ecp_local1.o ecp_local2.o ecp_locint1.o ecp_skipint.o ecp_t1_Q3asy.o ecp_t1_Q3int.o ecp_t1_Q3pow.o ecp_t1_Q4int.o ecp_t2_init3.o ecp_t2_init4.o ecp_t2_p3pow.o ecp_t2_p4pow.o ecp_ind_var.o ecp_gradient.o ecp_grad_a.o ecp_grad_b.o ecp_hessian.o ecp_int2_k.o ecp_local2_k.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ecp' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/ecp' Making all in hondo gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/hondo' Compiling hnd_vstat.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/hondo' Compiling hnd_whermt.F... Compiling hnd_rt123.F... Compiling hnd_root4.F... Compiling hnd_root5.F... Compiling hnd_droot.F... Compiling hnd_1emem.F... Compiling hnd_init.F... Compiling hnd_set_acc.F... Compiling hnd_stvint.F... Compiling hnd_sxyz.F... hnd_sxyz.F:58:72: 58 | px=px*ax | ^ Warning: 'ax' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:40: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ note: 'ax' was declared here hnd_sxyz.F:60:72: 60 | pz=pz*az | ^ Warning: 'az' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:48: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ note: 'az' was declared here hnd_sxyz.F:59:72: 59 | py=py*ay | ^ Warning: 'ay' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:44: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ note: 'ay' was declared here hnd_sxyz.F:66:72: 66 | pz=pz*bz | ^ Warning: 'bz' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:60: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ note: 'bz' was declared here hnd_sxyz.F:64:72: 64 | px=px*bx | ^ Warning: 'bx' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:52: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ note: 'bx' was declared here hnd_sxyz.F:65:72: 65 | py=py*by | ^ Warning: 'by' may be used uninitialized [-Wmaybe-uninitialized] hnd_sxyz.F:18:56: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ note: 'by' was declared here Compiling hnd_txyz.F... Compiling hnd_initd.F... Compiling hnd_d1emem.F... Compiling hnd_stvintd.F... Compiling hnd_dderij.F... Compiling hnd_sd_ij.F... Compiling hnd_tvd_ij.F... Compiling hnd_ddtxyz.F... Compiling hnd_hlf_ij.F... Compiling hnd_dervxyz.F... Compiling hnd_initdd.F... Compiling hnd_dd1emem.F... Compiling hnd_stvintdd.F... Compiling hnd_hlfd_ij.F... Compiling hnd_deriaj.F... Compiling hnd_terminate.F... Compiling hnd_denxyz.F... Compiling hnd_elfder.F... Compiling hnd_giaoh01.F... Compiling hnd_giaoh11.F... Compiling hnd_giaol10.F... Compiling hnd_giaos10.F... Compiling hnd_giaotv10.F... Compiling hnd_giaobq10.F... Compiling hnd_giao_init.F... Compiling hnd_giao_1emem.F... Compiling hnd_giao_2emem.F... Compiling hnd_giagnm.F... hnd_giagnm.F:56:13: 54 | do 70 m=2,max | 2 55 | do 70 ig=1,ng 56 | 70 b00(ig,m)=b00(ig,m-1)+b00(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:64:13: 62 | do 80 n=2,nmax-1 | 2 63 | do 80 ig=1,ng 64 | b10(ig,n)=b10(ig,n-1)+b10(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:81:29: 79 | do 100 n=2,nmax-1 | 2 80 | do 100 ig=1,ng 81 | gnm(ig,1,n+1,2)=b00(ig,n)*gnm(ig,1,n,1)+d00(ig,1)*gnm(ig,1,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:82:29: 79 | do 100 n=2,nmax-1 | 2 ...... 82 | gnm(ig,2,n+1,2)=b00(ig,n)*gnm(ig,2,n,1)+d00(ig,2)*gnm(ig,2,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:83:29: 79 | do 100 n=2,nmax-1 | 2 ...... 83 | gnm(ig,3,n+1,2)=b00(ig,n)*gnm(ig,3,n,1)+d00(ig,3)*gnm(ig,3,n+1,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:95:13: 93 | do 130 m=2,mmax-1 | 2 94 | do 130 ig=1,ng 95 | b01(ig,m)=b01(ig,m-1)+b01(ig,1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:112:29: 110 | do 150 m=2,mmax-1 | 2 111 | do 150 ig=1,ng 112 | gnm(ig,1,2,m+1)=b00(ig,m)*gnm(ig,1,1,m)+c00(ig,1)*gnm(ig,1,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:113:29: 110 | do 150 m=2,mmax-1 | 2 ...... 113 | gnm(ig,2,2,m+1)=b00(ig,m)*gnm(ig,2,1,m)+c00(ig,2)*gnm(ig,2,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:114:29: 110 | do 150 m=2,mmax-1 | 2 ...... 114 | gnm(ig,3,2,m+1)=b00(ig,m)*gnm(ig,3,1,m)+c00(ig,3)*gnm(ig,3,1,m+1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:129:31: 124 | do 180 m=2,mmax-1 | 2 ...... 129 | 2 b00(ig,m )*gnm(ig,1,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:132:31: 124 | do 180 m=2,mmax-1 | 2 ...... 132 | 2 b00(ig,m )*gnm(ig,2,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) hnd_giagnm.F:135:31: 124 | do 180 m=2,mmax-1 | 2 ...... 135 | 2 b00(ig,m )*gnm(ig,3,n ,m ) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling hnd_giaspd.F... Compiling hnd_jkbcdf.F... Compiling hnd_oechrg.F... Compiling hnd_xyzgia.F... Compiling hnd_giahnd.F... Compiling hnd_giaxyz.F... Compiling hnd_jkwrys.F... Compiling hnd_spdgia.F... Compiling hnd_pso.F... Compiling hnd_ops.F... Compiling hnd_dso.F... Compiling hnd_wleg.F... Compiling hnd_herxyz.F... Compiling hnd_init_1eelec.F... Compiling hnd_init_dso.F... Compiling hnd_init_1emtpl.F... Compiling hnd_init_pso.F... Compiling hnd_init_ops.F... Compiling hnd_veloc.F... Compiling hnd_angmom.F... Compiling hnd_dipxyz.F... Compiling hnd_init_dip.F... Compiling hnd_giaos100.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/hondo' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/hondo' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a hnd_vstat.o hnd_whermt.o hnd_rt123.o hnd_root4.o hnd_root5.o hnd_droot.o hnd_1emem.o hnd_init.o hnd_set_acc.o hnd_stvint.o hnd_sxyz.o hnd_txyz.o hnd_initd.o hnd_d1emem.o hnd_stvintd.o hnd_dderij.o hnd_sd_ij.o hnd_tvd_ij.o hnd_ddtxyz.o hnd_hlf_ij.o hnd_dervxyz.o hnd_initdd.o hnd_dd1emem.o hnd_stvintdd.o hnd_hlfd_ij.o hnd_deriaj.o hnd_terminate.o hnd_denxyz.o hnd_elfder.o hnd_giaoh01.o hnd_giaoh11.o hnd_giaol10.o hnd_giaos10.o hnd_giaotv10.o hnd_giaobq10.o hnd_giao_init.o hnd_giao_1emem.o hnd_giao_2emem.o hnd_giagnm.o hnd_giaspd.o hnd_jkbcdf.o hnd_oechrg.o hnd_xyzgia.o hnd_giahnd.o hnd_giaxyz.o hnd_jkwrys.o hnd_spdgia.o hnd_pso.o hnd_ops.o hnd_dso.o hnd_wleg.o hnd_herxyz.o hnd_init_1eelec.o hnd_init_dso.o hnd_init_1emtpl.o hnd_init_pso.o hnd_init_ops.o hnd_veloc.o hnd_angmom.o hnd_dipxyz.o hnd_init_dip.o hnd_giaos100.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/hondo' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/hondo' Making all in rel gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/rel' Compiling int_rel_init.F... Compiling rel_input.F... rel_input.F:80:64: 48 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 ...... 80 | if(.not.rtdb_put(rtdb,'relativistic:clight',mt_dbl,1,clight)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling modelpotential_input.F... Compiling set_modelpotential_params.F... Compiling get_modelpotential_params.F... Compiling calc_modelpotential.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/rel' Compiling rel_onel.F... rel_onel.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_onel.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_mpole.F... Compiling rel_pvp.F... Compiling rel_pot.F... Compiling rel_pot2.F... Compiling rel_2e4c_sf.F... Compiling rel_LLSS.F... Compiling rel_SSLL.F... Compiling rel_SSSS.F... Compiling rel_init_con.F... Compiling dmd_input.F... Compiling zora_input.F... Compiling x2c_input.F... Compiling rel_oneld.F... rel_oneld.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space Compiling rel_oneld_cosmo.F... rel_oneld_cosmo.F:9:19: 9 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld_cosmo.F:14:19: 14 | c:tex- \nonumber \\ | Warning: backslash and newline separated by space rel_oneld_cosmo.F:209:14: 209 | if (doV) call ecp_matpr(V(i,1),1,n_all_b,1,n_all_a, | ^ Warning: 'dov' may be used uninitialized [-Wmaybe-uninitialized] rel_oneld_cosmo.F:115:17: 115 | logical doV ! compute potential (True/False) | ^ note: 'dov' was declared here Compiling rel_2e4cd_sf.F... Compiling rel_LLSSd.F... Compiling rel_SSLLd.F... Compiling rel_SSSSd.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/rel' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/rel' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a int_rel_init.o rel_input.o modelpotential_input.o set_modelpotential_params.o get_modelpotential_params.o calc_modelpotential.o rel_onel.o rel_mpole.o rel_pvp.o rel_pot.o rel_pot2.o rel_2e4c_sf.o rel_LLSS.o rel_SSLL.o rel_SSSS.o rel_init_con.o dmd_input.o zora_input.o x2c_input.o rel_oneld.o rel_oneld_cosmo.o rel_2e4cd_sf.o rel_LLSSd.o rel_SSLLd.o rel_SSSSd.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/rel' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/rel' Making all in dk gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/dk' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/dk' Compiling int_1edk_ga.F... int_1edk_ga.F:194:13: 194 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling dk_input.F... dk_input.F:110:61: 108 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) | 2 109 | $ call errquit('dk_input: rtdb_put failed', 0, RTDB_ERR) 110 | if (.not. rtdb_put(rtdb, 'doug_kroll:type', mt_int, 1, dk_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dkdiv_energy.F... Compiling int_pxvp_ga.F... Compiling int_1edkso_ga.F... int_1edkso_ga.F:182:13: 182 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling bas_create_uncont.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/dk' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/dk' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a int_1edk_ga.o dk_input.o dkdiv_energy.o int_pxvp_ga.o int_1edkso_ga.o bas_create_uncont.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/dk' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints/dk' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a intgrl_input.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwints.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/NWints' Making libraries in atomscf gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/atomscf' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/atomscf' Compiling orderd.F... Compiling atcond.F... Compiling denat.F... denat.F:132:56: 121 | if (.not. rtdb_get(rtdb, 'atomscf:special', mt_log, 1, spec)) | 2 ...... 132 | if (.not.rtdb_get(rtdb,'atomscf:z',mt_dbl,num_z,z)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling hamild.F... Compiling outpud.F... Compiling teigd.F... Compiling atomd.F... Compiling denmad.F... Compiling jacod.F... jacod.F:141:72: 141 | f(iebr) = tt*sx - f(iebr)*cx | ^ Warning: 'tt' may be used uninitialized [-Wmaybe-uninitialized] jacod.F:20:49: 20 | real *8 sd, t, dif, t2x2, t2x25, cx, sx, tt | ^ note: 'tt' was declared here Compiling pdfded.F... Compiling tracd.F... Compiling cmergd.F... Compiling densid.F... Compiling densid_z.F... Compiling oeigd.F... Compiling shalfd.F... Compiling trafsd.F... Compiling creded.F... Compiling square.F... Compiling tramad.F... Compiling datoms.F... Compiling guess_mem.F... Compiling starcd.F... Compiling writel.F... Compiling printbasis.F... Compiling atscf_ecp.F... Compiling atscf_atscf.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/atomscf' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/atomscf' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libguess.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libguess.a orderd.o atcond.o denat.o hamild.o outpud.o teigd.o atomd.o denmad.o jacod.o pdfded.o tracd.o cmergd.o densid.o densid_z.o oeigd.o shalfd.o trafsd.o creded.o square.o tramad.o datoms.o guess_mem.o starcd.o writel.o printbasis.o atscf_ecp.o atscf_atscf.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libguess.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libguess.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libguess.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/atomscf' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/atomscf' Making libraries in ddscf gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf' Compiling comp4_bins.F... Compiling rhf_dens_mo.F... Compiling comp4_insert.F... Compiling scf_sym_adap.F... Compiling rhf_fock_2e.F... Compiling scf_lindep.F... scf_lindep.F:69:51: 59 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 2 ...... 69 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, tol)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ga_atom_blk.F... Compiling scf.F... scf.F:193:9: 191 | & cam_exch)) cam_exch=.false. | 2 192 | if (.not.rtdb_get(rtdb, 'scf:cam_omega', mt_dbl, 1, 193 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). scf.F:307:56: 76 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 1)) | 2 ...... 307 | if (.not. rtdb_put(rtdb, 'scf:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling scf_input.F... scf_input.F:52:60: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 52 | if (.not. rtdb_put(rtdb, 'scf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). scf_input.F:79:64: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) | 2 ...... 79 | if (.not.rtdb_put(rtdb,'scf:level shift info',MT_DBL,6,shifts)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling schwarz_init.F... Compiling vectors_inp.F... vectors_inp.F:234:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 234 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors_inp.F:248:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 248 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling int_1e_ga.F... Compiling schwarz_pr.F... Compiling ga_orth_mos.F... Compiling schwarz_tidy.F... Compiling int2e_balance.F... Compiling vectors.F... vectors.F:1308:40: 1302 | ierr = eaf_read(unitno, offset, len1,lgth) | 2 ...... 1308 | ierr = eaf_read(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). vectors.F:1162:41: 1156 | ierr = eaf_write(unitno, offset, len1,lgth) | 2 ...... 1162 | ierr = eaf_write(unitno, offset, gtitle(1:len1),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). vectors.F:195:43: 195 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, ddblsize*nbf, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vectors.F:77:41: 77 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*nsets, 0) | 1 ...... 1358 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vectors.F:851:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 851 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:868:22: 575 | call ga_inquire(g_vecs, type, dim1, dim2) | 2 ...... 868 | call ga_inquire(g_a, type, nrow, ncol) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) vectors.F:952:50: 402 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) then | 2 ...... 952 | if (.not. rtdb_get(rtdb, key, mt_log, 1, oconverged)) goto 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling scf_sym_scr.F... Compiling ga_cont_blk.F... Compiling mull_pop.F... mull_pop.F:162:44: 152 | call ga_put(g_nbf,iat,iat,1,1,nbf_at,1) | 2 ...... 162 | call ga_put(g_pop,mu,mu,iat,iat,psmu,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mull_pop.F:177:40: 175 | call ga_get (g_nbf,iat,iat,1,1,nbf_at,1) | 2 176 | do i = 1,nbf_at 177 | call ga_get(g_pop,i,i,iat,iat,pop,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling matrix_exp.F... Compiling scf_pstat.F... Compiling schwarz_max.F... Compiling movecs_proj.F... movecs_proj.F:181:32: 172 | call int_init(rtdb,2,basis_handles) | 2 ...... 181 | call int_init(rtdb, 1, basis) ! WRONG WRONG WRONG | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling movecs_rotate.F... Compiling movecs_molden.F... Compiling ao_fock_2e.F... Compiling movecs_lock.F... movecs_lock.F:77:26: 62 | call ycopy(nmo, evals, 1, dbl_mb(k_e), 1) | 2 ...... 77 | call ycopy(nmo, 0.0d0,0, dbl_mb(k_t), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling fock_2e.F... fock_2e.F:111:49: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:111:55: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 111 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:51: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:127:57: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 127 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:50: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e.F:131:56: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 131 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_2e_et.F... Compiling fock_2e_a.F... Compiling print_aoints.F... Compiling fock_2e_b.F... Compiling fock_upd_blk.F... Compiling fock_2e_cdf.F... Compiling fock_get_blk.F... Compiling scf_vec_guess.F... scf_vec_guess.F:113:53: 92 | if(.not.rtdb_get(rtdb,'tolguess',mt_dbl,1,tolguess)) then | 2 ...... 113 | if (.not. rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:134:25: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 134 | & 32, 32, g_movecs)) call errquit('scf_v_g: alpha MOs',0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:141:24: 124 | & 32, 32, g_tmp)) call errquit('scf_v_g: tmp MOs', 0, | 2 ...... 141 | & 32,32, g_movecs)) call errquit('scf_v_g: MOs', 0, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:145:30: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 145 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:164:14: 159 | if (.not. rtdb_put(rtdb,'scf:tol2e',mt_dbl,1,tol2e)) | 2 ...... 164 | $ odensityscreen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). scf_vec_guess.F:295:31: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:295:41: 144 | call ga_copy(g_tmp, g_movecs) | 2 ...... 295 | call ga_copy(g_movecs, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:30: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:332:45: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 331 | call ga_dgemm('n', 'n', nbf, nmo, nmo, 1.0d0, 332 | & g_tmp, g_tmp2, 0.0d0, g_movecs) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) scf_vec_guess.F:337:33: 330 | & g_tmp, g_movecs, 0.0d0, g_tmp2) | 2 ...... 337 | & g_tmp, g_tmp2, 0.0d0, g_movecs(2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:339:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 339 | if (.not. ga_destroy(g_tmp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) scf_vec_guess.F:341:39: 128 | if (.not. ga_destroy(g_movecs)) | 2 ...... 341 | if (.not. ga_destroy(g_tmp2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf.F... rohf.F:135:14: 135 | $ int_mb(k_irs), nmo) | 1 ...... 311 | call ecce_print1('total dipole', mt_dbl, totalmoments(2), 3) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rohf_nr_sol.F... Compiling rohf_wrap.F... rohf_wrap.F:209:58: 191 | if (.not. rtdb_get(rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 209 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', MT_LOG, 1, ldimqm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rohf_canon.F... rohf_canon.F:90:17: 79 | $ zero, g_movecs) | 2 ...... 90 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:92:17: 79 | $ zero, g_movecs) | 2 ...... 92 | $ zero, crohf_g_fcv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:96:20: 79 | $ zero, g_movecs) | 2 ...... 96 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:98:20: 79 | $ zero, g_movecs) | 2 ...... 98 | $ zero, crohf_g_fcp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:100:20: 79 | $ zero, g_movecs) | 2 ...... 100 | $ zero, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_canon.F:102:20: 79 | $ zero, g_movecs) | 2 ...... 102 | $ zero, crohf_g_fpv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_k2cf.F... Compiling rohf_precon.F... Compiling rohf_shift.F... Compiling rohf_step.F... Compiling rohf_rotate.F... Compiling scf_get_info.F... scf_get_info.F:363:58: 363 | if (.not. rtdb_get(rtdb, 'fock:task_bf', MT_INT, 1, task_bf)) | 1 ...... 550 | $ MT_LOG, 1, okeep)) okeep = .false. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling rohf_hscale.F... Compiling fock_2e_file.F... Compiling rohf_hxx.F... Compiling rohf_fock.F... rohf_fock.F:255:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 255 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:255:46: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 255 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:269:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 269 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_fock.F:269:46: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 269 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rohf_fock2g.F... Compiling scf_movecs.F... scf_movecs.F:94:40: 16 | $ g_movecs)) | 2 ...... 94 | $ dbl_mb(k_o), dbl_mb(k_e), g_old)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_h1e.F... Compiling rohf_h2e.F... Compiling rohf_hessv2.F... rohf_hessv2.F:293:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 293 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:294:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 294 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:314:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 314 | $ g_movec, 1, nbf, voff, nmo, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:315:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 315 | $ g_tmp2, 1, nvir, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:332:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 332 | $ g_movec, 1, nbf, ooff, oend, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:333:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 333 | $ g_tmp2, 1, nopen, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:487:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 487 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:488:14: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 488 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:514:33: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 514 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:515:33: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 515 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:532:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 532 | $ g_movec, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:533:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 533 | $ g_tmp1, 1, nbf, 1, nopen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv2.F:551:17: 289 | $ g_tmp1, 1, nvir, 1, nclosed, | 2 ...... 551 | $ g_movec, ooff, oend, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_hessv2.F:552:17: 290 | $ g_movec, 1, nclosed, 1, nbf, | 2 ...... 552 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling rohf_dens.F... Compiling movecs_phase.F... Compiling riscf_fock.F... Compiling riscf_init.F... Compiling riscf_list.F... Compiling riscf_tidy.F... Compiling riscf_trans.F... riscf_trans.F:96:61: 64 | call ga_get (g_indx, i, i, j, j, indx, 1) | 2 ...... 96 | call ga_get (g_Vsqrt, 1, Nff, sfirst, slast, V_row, Nff) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling do_riscf.F... Compiling riscf_dovecs.F... Compiling rohf_scat.F... rohf_scat.F:124:35: 109 | if (.not.int_normalize(rtdb,basis)) | 2 ...... 124 | if (.not. int_normalize(rtdb,all_bas_han)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:148:26: 119 | if (.not. bas_numbf(all_bas_han, nbf_all)) | 2 ...... 148 | if (.not. bas_numbf(basis, nbf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). rohf_scat.F:235:33: 232 | if (.not. bas_ce2bfr(basis, iat, ilo, ihi)) | 2 ...... 235 | if (.not. bas_ce2bfr(all_bas_han, iat, jlo, jhi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:264:25: 146 | call ga_orthog_mos(basis, g_vecs) | 2 ...... 264 | call ga_orthog_mos(all_bas_han, g_all) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rohf_scat.F:279:40: 133 | g_vecs = ga_create_atom_blocked(geom,basis,'Molecular orbital') | 2 ...... 279 | & ga_create_atom_blocked(geom, all_bas_han, 'rohf: cdens') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling uhf.F... uhf.F:2010:31: 429 | call movecs_fix_phase(g_movecs) | 2 ...... 2010 | call movecs_fix_phase(g_u) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1696:11: 361 | if (.not.rtdb_get(rtdb, 'scf:noscf', mt_log, 1, noscf)) | 2 ...... 1696 | $ max_precond_sub)) max_precond_sub = 10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). uhf.F:813:23: 397 | call ga_print(g_movecs) | 2 ...... 813 | call ga_print(g_a_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:814:23: 397 | call ga_print(g_movecs) | 2 ...... 814 | call ga_print(g_b_dens) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1005:23: 397 | call ga_print(g_movecs) | 2 ...... 1005 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1006:23: 397 | call ga_print(g_movecs) | 2 ...... 1006 | call ga_print(g_a_exch) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1217:23: 397 | call ga_print(g_movecs) | 2 ...... 1217 | call ga_print(g_a_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1218:23: 397 | call ga_print(g_movecs) | 2 ...... 1218 | call ga_print(g_b_coul) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1229:23: 397 | call ga_print(g_movecs) | 2 ...... 1229 | call ga_print(cuhf_g_falpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1230:23: 397 | call ga_print(g_movecs) | 2 ...... 1230 | call ga_print(cuhf_g_fbeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) uhf.F:1591:32: 397 | call ga_print(g_movecs) | 2 ...... 1591 | if (odebug) call ga_print(g_grad) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling uhf_hessv.F... Compiling fock_2e_rep.F... Compiling uhf_hessv2.F... Compiling print_integ_list.F... Compiling print_1eints.F... Compiling riscf_square.F... riscf_square.F:75:57: 50 | call ga_get (g_indx, 1, ish, ish, ish, indx, ish) | 2 ...... 75 | call ga_get (g_three, first, last, in, in, three, nint) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling riscf_io.F... Compiling movecs_pr_anal.F... Compiling rohf_lagr.F... Compiling rohf_diis.F... rohf_diis.F:164:23: 164 | $ g_movecs, 0.d0, g_tmp ) | 1 ...... 414 | $ g_tmp2, 0.d0, g_tmp1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:167:54: 167 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_movecs, | 1 ...... 413 | call ga_dgemm( 'n', 'n', nbf, nbf, nbf, 1.d0, g_fock, | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rohf_diis.F:174:34: 174 | call rohf_errvec( g_fock, g_movecs, g_over, g_xorth, | 1 Warning: Rank mismatch in argument 'g_vecs' at (1) (scalar and rank-1) Compiling rhf_fock.F... Compiling multipole.F... Compiling ga_mat_to_vec.F... Compiling movecs_frag.F... movecs_frag.F:84:63: 56 | $ call errquit('movecs_fragment: no fragment info?',0, | 2 ...... 84 | $ call errquit('movecs_fragment: GA for frag MOs', nmo_frag, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling localize.F... localize.F:78:24: 78 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 481 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:80:24: 80 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 577 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:85:24: 85 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 481 | call ga_get(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:87:24: 87 | call ga_put(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) | 1 ...... 577 | call ga_put(g_c, 1, nbf, s, s, c(1,1), 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localize.F:126:39: 126 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:136:36: 136 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:145:36: 145 | $ nloc, iloc, nbf, nmo, g_movecs, g_sc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:195:39: 195 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:205:36: 205 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:214:36: 214 | $ nloc, iloc, nbf, nmo, g_movecs, g_uc) | 1 Warning: Rank mismatch in argument 'g_c' at (1) (scalar and rank-1) localize.F:722:20: 17 | $ 1.0d0, g_over, g_movecs, 0.0d0, g_sc) | 2 ...... 722 | & 1.0d0, g_c, g_c, 0.0d0, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) localize.F:867:20: 17 | $ 1.0d0, g_over, g_movecs, 0.0d0, g_sc) | 2 ...... 867 | & 1.0d0, g_c, g_c, 0.0d0, g_tmp) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling int_dip_ga.F... Compiling fock_xc.F... fock_xc.F:117:54: 103 | & calc_type)) then | 2 ...... 117 | if (.not.rtdb_get(rtdb, 'dft:cgmin', mt_log, 1, lcgmin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). fock_xc.F:194:28: 194 | = dft_npatch(g_dens,i,nbf_ao,geom,ao_bas_han) | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:205:44: 205 | int_mb(igxcd+i-1)=dft_npatch(g_dens,i+nfock_xc-1, | 1 Warning: Rank mismatch in argument 'g_dens' at (1) (scalar and rank-1) fock_xc.F:359:33: 359 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:360:12: 360 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:366:33: 366 | call nga_copy_patch('N',g_xc,alo,ahi, | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_xc.F:367:12: 367 | & g_xc,blo,bhi) | 1 ...... 444 | call nga_copy_patch('N',g_dens,alo,ahi,g_dens1,blo,bhi) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling fock_j_fit.F... fock_j_fit.F:17:45: 17 | call fock_j_fit_gen(nmat, g_dens, g_j, 0d0, .false., .true.) | 1 Warning: Rank mismatch in argument 'tvec' at (1) (rank-1 and scalar) Compiling rohf_jkfac.F... Compiling uhf_jkfac.F... Compiling rohf_hessv3.F... rohf_hessv3.F:862:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 862 | call nga_copy_patch('N',g_fock(ipm),alo,ahi,g_tmp1,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:863:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 863 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:882:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 882 | & g_tmp2,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:883:56: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 883 | call nga_copy_patch('N',g_dens(ipm),alo,ahi,g_dcp,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:888:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 888 | & g_tmp3,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:890:15: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) | 2 ...... 890 | & g_dpv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rohf_hessv3.F:69:17: 69 | $ pflg, g_movecs, oskel, noskew, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling fock_2e_cam.F... fock_2e_cam.F:118:49: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:118:55: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 118 | call ao_fock_2e( geom1, ao_basis, nfock, lfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:51: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:134:57: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 134 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:50: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fock_2e_cam.F:140:56: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), | 2 ...... 140 | call ao_fock_2e( geom1, ao_basis, nfock, jfac, kfac, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ga_get2eri.F... Compiling scf_frozemb.F... Compiling print_integrals.F... Compiling rohf_hessv2_ext.F... Compiling rohf_hessv3_ext.F... rohf_hessv3_ext.F:88:11: 88 | & g_movecs, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) rohf_hessv3_ext.F:429:11: 429 | & g_movecs, ! in : MO coefficients | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) Compiling uhf_hessv2_ext.F... uhf_hessv2_ext.F:4115:72: 4115 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) uhf_hessv2_ext.F:2779:72: 2779 | & GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling uhf_precond_ext.F... Compiling scf_dump_evp_input.F... Compiling cosmo_fock.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf' Compiling fock_2e_task.F... Compiling fock_2e_slab.F... Compiling fock_2e_lab.F... fock_2e_lab.F:1609:46: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:1609:52: 1609 | call fock_2e_rep_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:50: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'jfac' at (1) (scalar and rank-1) fock_2e_lab.F:2039:56: 2039 | call fock_2e_rep_mod_1_label(nfock, nbf, jfac, kfac, tol2e, | 1 Warning: Rank mismatch in argument 'kfac' at (1) (scalar and rank-1) Compiling fock_labscal.F... Compiling fock_2e_c.F... Compiling fock_scale.F... Compiling fock_densc.F... Compiling schwarz_atom.F... Compiling comp4_ext.F... Compiling schwarz_sh.F... Compiling int2e_file.F... Compiling ao_replicated.F... ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ihi' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:22: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ihi' declared here ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ilo' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:17: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ilo' declared here ao_replicated.F:988:72: 988 | do i = ilo, ihi | ^ Warning: 'ihi' may be used uninitialized [-Wmaybe-uninitialized] ao_replicated.F:916:22: 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ihi' declared here gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf' Making all in fast gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf/fast' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf/fast' Compiling xlm_poles.F... xlm_poles.F:1897:72: 1897 | p(0,0) = p(0,0) + r12*ww*qq(0,0) | ^ Warning: 'qq' may be used uninitialized [-Wmaybe-uninitialized] xlm_poles.F:1732:44: 1732 | double precision qq(-maxl:maxl,0:maxl), tmp(-maxl:maxl) | ^ note: 'qq' declared here Compiling cheby.F... Compiling fastj.F... fastj.F:170:11: 158 | if (.not. rtdb_get(rtdb, 'fastj:depth', mt_int, 1, depth)) | 2 ...... 170 | $ oversample)) oversample = 1.8d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). fastj.F:1994:36: 650 | $ radial*double_factorial(n+l+1)/ | 2 ...... 1994 | $ 2d0*log(double_factorial(n))+ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). fastj.F:1639:72: 1639 | dbl_mb(k_v_r+j-1) = dbl_mb(k_v_r+j-1) - potgrid | ^ Warning: 'potgrid' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:1256:47: 1256 | double precision x, y, z, potfmm, potgrid, fact | ^ note: 'potgrid' was declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nx' is used uninitialized [-Wuninitialized] fastj.F:503:19: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nx' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'ny' is used uninitialized [-Wuninitialized] fastj.F:503:23: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'ny' declared here fastj.F:541:41: 541 | if (nx.gt.maxn .or. ny.gt.maxn .or. nz.gt.maxn) call errquit | ^ Warning: 'nz' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:503:27: 503 | integer k, nx, ny, nz, nnx, nny, nnz, jk, jjkk, ijk, ind, ptr | ^ note: 'nz' declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'x' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:36: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'x' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'y' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:39: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'y' was declared here fastj.F:736:72: 736 | $ x-a, y-b, z-c, q, lmax) | ^ Warning: 'z' may be used uninitialized [-Wmaybe-uninitialized] fastj.F:507:42: 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'z' was declared here Compiling anlfit.F... anlfit.F:615:72: 615 | D(1)=PTWO | ^ Warning: 'ptwo' may be used uninitialized [-Wmaybe-uninitialized] anlfit.F:598:42: 598 | DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) | ^ note: 'ptwo' was declared here Compiling cart_trans.F... Compiling gauleg.f... Compiling solver.F... solver.F:1030:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1031:15: 1029 | do j = 0,lmax | 2 1030 | yp(j,i) = yy 1031 | zp(j,i) = zz | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1055:34: 1054 | do j = 0, lmax | 2 1055 | yf(j) = yf(j) + yp(j,l)*f(l,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:1060:46: 1058 | do k = 0,lmax | 2 1059 | do j = 0,lmax 1060 | q2d(j,k) = q2d(j,k) + yf(j)*zp(k,m) | 1 Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2) solver.F:99:72: 99 | $ write(6,15) etime(tt) - start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] solver.F:34:32: 34 | real*4 etime, tt(2), start | ^ note: 'start' was declared here Compiling vsint.F... vsint.F:999:72: 999 | n4=n5 | ^ Warning: 'n5' is used uninitialized [-Wuninitialized] vsint.F:999:11: 999 | n4=n5 | ^ note: 'n5' was declared here Compiling pot_shell.F... pot_shell.F:88:52: 88 | double precision qm2, qm1, q0, qp1, qp2, start | ^ Warning: 'start' may be used uninitialized [-Wmaybe-uninitialized] Compiling fastj_direct.F... Compiling fastj_range.f... Compiling newfmm.F... newfmm.F:1152:26: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1152 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). newfmm.F:1152:30: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) | 2 ...... 1152 | call ifill(n_cells, -1, int_mb(k_tree), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'xo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:37: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'xo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'yo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:41: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'yo' was declared here newfmm.F:580:72: 580 | call xlm(lmax, x-xo, y-yo, z-zo, w, lq) | ^ Warning: 'zo' may be used uninitialized [-Wmaybe-uninitialized] newfmm.F:530:45: 530 | double precision hx, hy, hz, xo, yo, zo, sum, | ^ note: 'zo' was declared here Compiling potential.F... Compiling sint.F... sint.F:146:72: 146 | CALL RFFTI1(N,WSAVE(N+1),WSAVE(2*N+1)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) sint.F:25:72: 25 | CALL SINT1(N,X,WSAVE,WSAVE(IW1),WSAVE(IW2),WSAVE(IW3)) | 1 Warning: Type mismatch in argument 'ifac' at (1); passed REAL(8) to INTEGER(8) gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf/fast' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf/fast' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libddscf.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libddscf.a xlm_poles.o cheby.o fastj.o anlfit.o cart_trans.o gauleg.o solver.o vsint.o pot_shell.o fastj_direct.o fastj_range.o newfmm.o potential.o sint.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libddscf.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libddscf.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libddscf.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf/fast' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf/fast' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libddscf.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libddscf.a comp4_bins.o rhf_dens_mo.o comp4_insert.o scf_sym_adap.o rhf_fock_2e.o scf_lindep.o ga_atom_blk.o scf.o scf_input.o schwarz_init.o vectors_inp.o int_1e_ga.o schwarz_pr.o ga_orth_mos.o schwarz_tidy.o int2e_balance.o vectors.o scf_sym_scr.o ga_cont_blk.o mull_pop.o matrix_exp.o scf_pstat.o schwarz_max.o movecs_proj.o movecs_rotate.o movecs_molden.o ao_fock_2e.o movecs_lock.o fock_2e.o fock_2e_et.o fock_2e_a.o print_aoints.o fock_2e_b.o fock_upd_blk.o fock_2e_cdf.o fock_get_blk.o scf_vec_guess.o rohf.o rohf_nr_sol.o rohf_wrap.o rohf_canon.o rohf_k2cf.o rohf_precon.o rohf_shift.o rohf_step.o rohf_rotate.o scf_get_info.o rohf_hscale.o fock_2e_file.o rohf_hxx.o rohf_fock.o rohf_fock2g.o scf_movecs.o rohf_h1e.o rohf_h2e.o rohf_hessv2.o rohf_dens.o movecs_phase.o riscf_fock.o riscf_init.o riscf_list.o riscf_tidy.o riscf_trans.o do_riscf.o riscf_dovecs.o rohf_scat.o uhf.o uhf_hessv.o fock_2e_rep.o uhf_hessv2.o print_integ_list.o print_1eints.o riscf_square.o riscf_io.o movecs_pr_anal.o rohf_lagr.o rohf_diis.o rhf_fock.o multipole.o ga_mat_to_vec.o movecs_frag.o localize.o int_dip_ga.o fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o rohf_hessv3.o fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o scf_dump_evp_input.o cosmo_fock.o fock_2e_task.o fock_2e_slab.o fock_2e_lab.o fock_labscal.o fock_2e_c.o fock_scale.o fock_densc.o schwarz_atom.o comp4_ext.o schwarz_sh.o int2e_file.o ao_replicated.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libddscf.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libddscf.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ddscf' Making libraries in gradients gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gradients' Compiling gradients.F... Compiling grad_force.F... grad_force.F:252:63: 226 | if (.not. rtdb_get(rtdb,'slv:cosmo',mt_log,1,ocosmo)) then | 2 ...... 252 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grad1.F... Compiling scf_gradient.F... Compiling grad_dens.F... Compiling grad_inp.F... grad_inp.F:45:62: 40 | $ checkpoint)) | 2 ...... 45 | 200 if (.not. rtdb_put(rtdb,'gradients:restart', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling ga_reorder.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gradients' Compiling grad2.F... Compiling grad_getdens.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gradients' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gradients' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libgradients.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libgradients.a gradients.o grad_force.o grad1.o scf_gradient.o grad_dens.o grad_inp.o ga_reorder.o grad2.o grad_getdens.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libgradients.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libgradients.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libgradients.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gradients' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gradients' Making libraries in moints gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/moints' Compiling atwtest.F... Compiling direct_mp2.F... direct_mp2.F:118:58: 59 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 118 | if (.not. rtdb_get(rtdb, 'dft:energy', MT_DBL, 1, scf_energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mointdriver.F... mointdriver.F:96:28: 90 | if (.not. rtdb_get(rtdb, 'mp2:aotol2e', mt_dbl, 1, tol2e)) | 2 ...... 96 | $ 1, odisk)) odisk = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling moints_1e.F... Compiling moints_dbg.F... Compiling moints_gsh1.F... Compiling moints_mem.F... Compiling moints_mp2.F... moints_mp2.F:167:54: 163 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 2 ...... 167 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling moints_stats.F... moints_stats.F:54:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 54 | call ga_dgop(msg_moints_stats_2,mi_maxsynch,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:55:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 55 | call ga_dgop(msg_moints_stats_3,mi_minsynch,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:56:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 56 | call ga_dgop(msg_moints_stats_4,mi_maxtask,1,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_stats.F:57:39: 41 | call ga_dgop(msg_moints_stats_1,mv,nstats,'+') | 2 ...... 57 | call ga_dgop(msg_moints_stats_5,mi_mintask,1,'min') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling moints_full.F... moints_full.F:886:42: 626 | call ga_get(g_coul, 1, nact2, ij, ij, g, 1) | 2 ...... 886 | call ga_get(g_tmp, 1, nbf, i, i, work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_full.F:887:52: 710 | call ga_put(g_mofock, 1, hi, i, i, buf, 1) | 2 ...... 887 | call ga_put(g_vecs,1, nbf, map(i), map(i), work, nbf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_full.F:192:11: 103 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 192 | $ occ_frozen)) occ_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). moints_full.F:374:72: 374 | $ nsym, sym_lo, sym_hi) | 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(8) Compiling sifs0.F... Compiling sifs1.F... sifs1.F:1371:13: 911 | & fcore, ibitv, ierr ) | 2 ...... 1371 | & wdummy, idummy, ierr ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/moints' Compiling moints_cutil.c... Compiling moints_aodisk.F... moints_aodisk.F:1719:22: 1719 | if (.not.(sprs_verify(llen,klen,itmp(1), | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:922:23: 922 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_aodisk.F:922:34: 922 | call icopy( 1, recptr, 1, iorec(1), 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). moints_aodisk.F:996:72: 996 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'colp' at (1); passed REAL(8) to INTEGER(8) moints_aodisk.F:996:72: 996 | $ iorec(irrp), iorec(drp), nnz1 ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1165:38: 1165 | call icopy( 1, iorec(1), 1, nexthdrp, 1 ) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1172:41: 1172 | 101 call icopy( 1, iorec(nexthdrp), 1, magic, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1285:72: 1285 | $ ssbb(lblo,kblo,j,i) ) | 1 Warning: Type mismatch in argument 'ir' at (1); passed INTEGER(8) to INTEGER(2) moints_aodisk.F:1606:29: 1606 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1614:72: 1614 | call moints_aodisk_ijprint( ilen, jlen, r(ijp) ) | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed REAL(8) to INTEGER(2) moints_aodisk.F:1566:35: 1566 | call icopy(1, iorec(1), 1, hdrp, 1 ) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1652:29: 1652 | call icopy(1, r(1), 1, hdrp, 1) | 1 ...... 1718 | call icopy( iirlen, r(ijp), 1, itmp, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) moints_aodisk.F:1660:18: 1660 | if (.not.(ao_ijverify( ilen, jlen, klen, llen, | 1 Warning: Type mismatch in argument 'ijmap' at (1); passed INTEGER(8) to INTEGER(2) Compiling moints_2x.F... Compiling moints_6x.F... Compiling moints_semi.F... moints_semi.F:1255:33: 1184 | if (eaf_read(munit, faddr, t, rlen).ne.0) | 2 ...... 1255 | if (eaf_read(munit, ioptr, v, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_semi.F:307:34: 307 | if (eaf_write(kunit, 0.d0, vtmp, | 1 ...... 959 | ierr=eaf_write(munit, faddr, dbl_mb(k_local+ooffset), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). moints_semi.F:321:60: 163 | if (rtdb_get(rtdb, 'mp2:mxrlen', mt_int, 1, mxrlen_in)) | 2 ...... 321 | if (.not. rtdb_get(rtdb, 'mp2:copyback', mt_log, 1, mp2cpybck)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). moints_semi.F:1116:42: 849 | call ga_put( g_buf, ijolo, ijohi, 1, nvir, h2, nij ) | 2 ...... 1116 | call ga_put(g_epair,1,1,oj,oj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling moints_aux2.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/moints' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/moints' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmoints.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmoints.a atwtest.o direct_mp2.o mointdriver.o moints_1e.o moints_dbg.o moints_gsh1.o moints_mem.o moints_mp2.o moints_stats.o moints_full.o sifs0.o sifs1.o moints_cutil.o moints_aodisk.o moints_2x.o moints_6x.o moints_semi.o moints_aux2.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmoints.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmoints.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmoints.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/moints' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/moints' Making libraries in nwdft gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft' Compiling nwdft.F... nwdft.F:224:57: 171 | if (rtdb_get(rtdb,'dyall_mod_dir',mt_log,1,dyall_mod_dir)) then | 2 ...... 224 | if(.not.rtdb_get(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Making all in include gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/include' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/include' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/include' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/include' Making all in input_dft gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/input_dft' Compiling dft_inpana.F... dft_inpana.F:1093:28: 1075 | if (.not. rtdb_put(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 2 ...... 1093 | & mt_dbl, numfunc, cfac(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_inpana.F:1114:55: 1072 | if(rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) then | 2 ...... 1114 | if (.not.rtdb_get(rtdb, 'scf:thresh', MT_DBL, 1, thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_rdinput.F... dft_rdinput.F:99:52: 73 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 99 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, rcharge))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_rdinput.F:209:23: 110 | & mt_log, 1, nodamping)) | 2 ...... 209 | & mt_int, 1, iterations)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_input.F... dft_input.F:184:53: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 184 | if (.not. rtdb_put(rtdb, 'dft:direct',mt_log,1,direct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_input.F:350:59: 113 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, ipol)) | 2 ...... 350 | if (.not. rtdb_get(rtdb, 'dft:gonwxc', mt_log, 1, gonwxc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_input.F:485:7: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 485 | & nmo_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:488:7: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 488 | & ncore_fon)) call errquit('dft_input: rtdb_put failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:621:24: 418 | 2200 if (.not. inp_f(smear_sigma)) then | 2 ...... 621 | if (.not. inp_f(alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). dft_input.F:926:52: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 926 | if (.not.rtdb_put(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_input.F:928:50: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) | 2 ...... 928 | if (.not.rtdb_put(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tol_inp.F... tol_inp.F:70:57: 56 | if (.not. rtdb_put(rtdb, 'dft:ltight', mt_log, 1, ltight)) | 2 ...... 70 | if (.not. rtdb_put(rtdb, 'dft:tol_rho', mt_dbl, 1, tol_rho)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grid_inp.F... grid_inp.F:144:60: 81 | if (.not. rtdb_put(rtdb, 'dft:delley', mt_log, 1, ldelley)) | 2 ...... 144 | if (.not. rtdb_put(rtdb, 'dft:nradpts', mt_int, 1, nradpts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling xc_inp.F... xc_inp.F:4094:55: 3890 | if (.not.rtdb_put(rtdb,'dft:ivdw', mt_int, 1, ivdw)) | 2 ...... 4094 | if (.not. rtdb_put(rtdb,'dft:mp2fac', mt_dbl, 1, mp2fac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling conv_inp.F... conv_inp.F:191:55: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dft:ncydp', mt_int, 1, ncydp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). conv_inp.F:391:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 391 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) conv_inp.F:407:61: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) | 2 ...... 407 | if (.not.rtdb_put(rtdb,'dft:level shift info',MT_DBL,6,scfshift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cdft_inp.F... cdft_inp.F:71:54: 32 | if (.not.rtdb_get(rtdb,'dft:grid_make_sa',mt_log,1,grid_make_sa)) | 2 ...... 71 | if (.not. rtdb_get(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). cdft_inp.F:89:53: 66 | if (.not. rtdb_put(rtdb,'dft:dl_conv', mt_dbl, 1, dl_conv)) | 2 ...... 89 | if (.not. rtdb_put(rtdb,'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling occup_input.F... occup_input.F:196:52: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 195 | & call errquit(pname//'rtdb_put failed', 1201, RTDB_ERR) 196 | if (.not. rtdb_put(rtdb,'focc:occup',mt_int,2,nfocc_in)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) occup_input.F:199:23: 194 | if (.not. rtdb_put(rtdb,'focc:occup_switch',mt_int,1,switch_focc)) | 2 ...... 199 | & mt_dbl,nfocc,dbl_mb(k_occ))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/input_dft' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a dft_inpana.o dft_rdinput.o dft_input.o tol_inp.o grid_inp.o xc_inp.o conv_inp.o cdft_inp.o occup_input.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/input_dft' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/input_dft' Making all in scf_dft gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/scf_dft' Compiling dft_swapab.F... Compiling dft_main0d.F... dft_main0d.F:118:59: 115 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, 0.d0)) | 2 ...... 118 | if (.not. rtdb_put(rtdb, 'dft:converged', MT_LOG, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_main0d.F:140:50: 134 | if (.not. rtdb_get(rtdb, 'dft:scalanb',mt_int,1,nb)) | 2 ...... 140 | if(rtdb_get(rtdb,'bgj:xc_active', MT_LOG, 1,xc_active)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling dft_scf.F... dft_scf.F:276:43: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 276 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_scf.F:404:7: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 404 | & nmo_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:407:7: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 407 | & ncore_fon)) call errquit('dft_scf: rtdb_get failed', 2300, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:458:53: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 458 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:741:61: 362 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 741 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:1099:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1099 | $ rtdb_get(rtdb,'dft:iatms1', mt_int, nconstr,iatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1100:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1100 | $ .and. rtdb_get(rtdb,'dft:iatms2', mt_int, nconstr,iatms2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1101:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1101 | $ .and. rtdb_get(rtdb,'dft:fatms1', mt_int, nconstr,fatms1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1102:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1102 | $ .and. rtdb_get(rtdb,'dft:fatms2', mt_int, nconstr,fatms2) )) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1106:61: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 1106 | if (.not. rtdb_get(rtdb,'dft:dtype', mt_int, nconstr,dtype)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:1751:32: 1749 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1750 | call ecce_print1 ('iterative total energy difference', 1751 | & mt_dbl, delta, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf.F:2444:53: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2444 | if (.not. rtdb_get(rtdb,'dft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf.F:2446:51: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 2446 | if (.not. rtdb_get(rtdb,'dft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling print_irrep_occp.F... Compiling dft_fockbld.F... dft_fockbld.F:125:42: 120 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 125 | $ rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_fockbld.F:392:39: 293 | if (.not.ga_duplicate(g_focks(1),g_cosmo,'cosmo')) | 2 ...... 392 | if(.not.ga_duplicate(g_vxc(1), g_vdim, 'dim:1')) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:394:21: 195 | call ga_zero(g_fock) | 2 ...... 394 | call ga_zero(g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:397:34: 212 | Ecore = ga_ddot(g_dens(1), g_fock) | 2 ...... 397 | Edim = ga_ddot(g_dens(1), g_vdim) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:646:27: 323 | call ga_dadd(1d0, g_dens(1), -1d0, g_dens(2), g_dens(1)) | 2 ...... 646 | call ga_dadd(1.d0, g_vdim, 1.d0, g_focks(1), g_focks(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_fockbld.F:650:29: 300 | if (.not.ga_destroy(g_cosmo)) | 2 ...... 650 | if (.not. ga_destroy(g_vdim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_scfutil.F... dft_scfutil.F:109:72: 109 | & 1, 1, nbf_ao, 1, 1) | 1 Warning: More actual than formal arguments in procedure call at (1) dft_scfutil.F:153:58: 151 | & frac_occ )) frac_occ=.false. | 2 152 | c 153 | if (.not.rtdb_get(rtdb,'focc:occup_switch',mt_int,1,ifocc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_symbr.F... Compiling dft_pstat.F... Compiling fukui.F... Compiling dft_canorg.F... dft_canorg.F:221:53: 212 | if (rtdb_get(rtdb, 'lindep:tol', mt_dbl, 1, toll_s).or. | 2 ...... 221 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dft_diagn.F... Compiling dft_dump_info.F... Compiling dft_fant.F... Compiling dft_printinfo.F... Compiling dft_fock_efield.F... dft_fock_efield.F:95:72: 95 | $ call errquit (pname//"invalid negative exp_cutoff") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dft_frac_mo.F... dft_frac_mo.F:59:9: 44 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) ! read both nfocc_in(1) and nfocc_in(2) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_nwmolden.F... dft_nwmolden.F:98:30: 57 | call ga_brdcst(2020, io_res, inntsize, 0) | 2 ...... 98 | call ga_brdcst(1984, eval, ispin, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_spinflip.F... Compiling dft_quickguess.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/scf_dft' Compiling dft_dencvg.F... Compiling dft_densm.F... dft_densm.F:103:59: 103 | status=rtdb_get(rtdb,'focc:occup_switch', mt_int,1,switch_focc) | 1 ...... 510 | if (.not. rtdb_get(rtdb, 'dft:debugfon', mt_log, 1, debug)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_densm.F:147:31: 147 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 1 ...... 451 | if (.not. ga_duplicate(g_dens, g_tmp, 'ga_temp')) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_invdiag.F... Compiling dft_mxovl.F... Compiling dft_mxspin_ovlp.F... Compiling dft_s2_value.F... Compiling dft_scfcvg.F... Compiling diis_bld12.F... Compiling diis_bsolve.F... Compiling diis_core.F... Compiling diis_driver.F... Compiling diis_hamwgt.F... Compiling dft_fdist_init.F... Compiling cdft_util.F... cdft_util.F:965:11: 429 | if (.not. rtdb_get(rtdb, 'dft:nconstr', mt_int, 1, nconstr)) | 2 ...... 965 | $ multipliers(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/scf_dft' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/scf_dft' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a dft_swapab.o dft_main0d.o dft_scf.o print_irrep_occp.o dft_fockbld.o dft_scfutil.o dft_symbr.o dft_pstat.o fukui.o dft_canorg.o dft_diagn.o dft_dump_info.o dft_fant.o dft_printinfo.o dft_fock_efield.o dft_frac_mo.o dft_nwmolden.o dft_spinflip.o dft_quickguess.o dft_dencvg.o dft_densm.o dft_invdiag.o dft_mxovl.o dft_mxspin_ovlp.o dft_s2_value.o dft_scfcvg.o diis_bld12.o diis_bsolve.o diis_core.o diis_driver.o diis_hamwgt.o dft_fdist_init.o cdft_util.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/scf_dft' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/scf_dft' Making all in scf_dft_cg gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/scf_dft_cg' Compiling dft_cscf.F... Compiling dft_cg_answer.F... dft_cg_answer.F:39:56: 33 | if (.not. rtdb_put(rtdb,'scf:nclosed', mt_int, 1, nclosed)) | 2 ...... 39 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling dft_cg_info.F... dft_cg_info.F:54:11: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 54 | $ nr_gswitch)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_cg_info.F:60:56: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 60 | if (.not.rtdb_get(rtdb, 'dft:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dft_cg_info.F:72:55: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then | 2 ...... 72 | if (.not. rtdb_get(rtdb, 'dft:tol2e', MT_DBL, 1, tol2e)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_cg_guess.F... Compiling dft_cg_solve.F... dft_cg_solve.F:120:11: 113 | if (.not.rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) fon=.false. | 2 ...... 120 | & ssmear))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dft_get_conv_info.F... Compiling dft_roks_energy.F... dft_roks_energy.F:108:45: 102 | $ rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) | 2 ...... 108 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling dft_roks_fock.F... dft_roks_fock.F:384:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:384:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 384 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:407:46: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) | 2 ...... 407 | call ga_dadd(1d0,iv_fock,1d0,g_tmp(1),iv_fock) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_roks_fock.F:450:58: 259 | if (.not. rtdb_put(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) | 2 ...... 450 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling dft_roks_hessv_2e.F... dft_roks_hessv_2e.F:298:57: 282 | & calc_type)) then | 2 ...... 298 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling dft_roks_hessv.F... Compiling dft_roks_hessv_xx.F... Compiling dft_roks_nr_solve.F... Compiling dft_roks_search_precond.F... Compiling dft_roks_step_energy.F... Compiling dft_uks_energy.F... dft_uks_energy.F:331:49: 72 | & 'cphf_solve:cphf_uhf', mt_log, 1, cphf_uhf)) then | 2 ...... 331 | if (rtdb_get(rtdb,'dft:bq_energy',mt_dbl,1,Ebq)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dft_uks_hessv_2e.F... Compiling dft_uks_hessv.F... Compiling dft_uks_nr_solve.F... Compiling dft_uks_search_precond.F... Compiling dft_uks_step_energy.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/scf_dft_cg' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a dft_cscf.o dft_cg_answer.o dft_cg_info.o dft_cg_guess.o dft_cg_solve.o dft_get_conv_info.o dft_roks_energy.o dft_roks_fock.o dft_roks_hessv_2e.o dft_roks_hessv.o dft_roks_hessv_xx.o dft_roks_nr_solve.o dft_roks_search_precond.o dft_roks_step_energy.o dft_uks_energy.o dft_uks_hessv_2e.o dft_uks_hessv.o dft_uks_nr_solve.o dft_uks_search_precond.o dft_uks_step_energy.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/scf_dft_cg' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/scf_dft_cg' Making all in so_dft gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/so_dft' Compiling dft_scf_so.F... dft_scf_so.F:310:37: 304 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 310 | $ (rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_scf_so.F:707:60: 347 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 707 | if (.not. rtdb_put(rtdb, 'dft:pstrace', mt_dbl, 1, pstrace)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf_so.F:1288:48: 1253 | call int_1e_ga(ao_bas_han, ao_bas_han, g_fock, 'kinetic', oskel) | 2 ...... 1288 | call int_1e_ga(ao_bas_han, ao_bas_han, g_so, 'so', oskel) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:1885:32: 1883 | call ecce_print1 ('iteration counter', mt_int, iter, 1) | 2 1884 | call ecce_print1 ('iterative total energy difference', 1885 | & mt_dbl, -etold+etnew, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_scf_so.F:2315:53: 347 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2315 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_scf_so.F:2340:53: 347 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) | 2 ...... 2340 | if(.not.rtdb_put(rtdb,'sodft:swap',mt_int,2,swap)) ! swap is queried in movecs_swap_so | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_densmso.F... Compiling dft_mxovlso.F... Compiling grad_force_so.F... grad_force_so.F:269:63: 267 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 268 | $ ocdfit = .false. 269 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dft_gradients_so.F... dft_gradients_so.F:486:34: 484 | call intdd_init(rtdb,2,nmo) | 2 485 | else 486 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients_so.F:526:33: 524 | call intd_init(rtdb,2,nmo) | 2 525 | else 526 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling vectors_so.F... vectors_so.F:164:43: 164 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob(nbf), 0) | 1 ...... 821 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob(1), 0) ! Propagate status | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). vectors_so.F:264:48: 264 | $ 'movecs_gather_so: ga_destroy failed', g_tmp, GA_ERR) | 1 ...... 808 | $ call errquit('matrix_fwrite: ma failed', nrow, MA_ERR) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grad_dens_so.F... Compiling grad1_so.F... Compiling diis_driver_so.F... Compiling diis_bsolve_so.F... Compiling diis_bld12_so.F... Compiling diis_core_so.F... Compiling diis_hamwgt_so.F... Compiling diis_refvec_so.F... diis_refvec_so.F:29:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 29 | call ga_get(g_err(1),1,i-1,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:30:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 30 | call ga_get(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:31:41: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 31 | call ga_get(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:32:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) | 2 ...... 32 | call ga_get(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:42:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 42 | call ga_put(g_err(1),1,i,i,i,colre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:43:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 43 | call ga_put(g_err(1),i,i,1,i-1,rowre,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:44:41: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 44 | call ga_put(g_err(2),1,i,i,i,colim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) diis_refvec_so.F:45:43: 20 | call ga_put(g_err(1),1,1,1,1,0.d0,1) | 2 ...... 45 | call ga_put(g_err(2),i,i,1,i-1,rowim,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling movecs_anal_so.F... movecs_anal_so.F:464:49: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) movecs_anal_so.F:464:56: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, | 2 463 | $ 0.0d0,g_tmp2) 464 | call ga_dgemm('t','n',nmo,nmo,nbf,1.0d0,g_vecs,g_tmp2, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling getv_coul.F... Compiling getv_exch0.F... Compiling getv_exchX.F... Compiling getv_exchY.F... Compiling getv_exchZ.F... Compiling getv_dftxc.F... Compiling sym_mo_adapt_so.F... sym_mo_adapt_so.F:436:30: 435 | call ga_igop(msg_sym_1, nmixed, 1, '+') | 2 436 | call ga_igop(msg_sym_2, irs, nvec, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling sym_char_tab_so.F... Compiling scf_sym_adap_so.F... Compiling sym_mo_ap_op_so.F... Compiling sym_op_clsfy_so.F... Compiling ga_orth_mos_so.F... Compiling ga_orthog_so.F... Compiling sym_op_cname_so.F... Compiling grad_dens_so2.F... Compiling dft_scf_utils_so.F... Compiling dft_frac_mo_so.F... dft_frac_mo_so.F:59:9: 48 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) | 2 ...... 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling xc_exso.F... Compiling getv_coul_cd.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/so_dft' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a dft_scf_so.o dft_densmso.o dft_mxovlso.o grad_force_so.o dft_gradients_so.o vectors_so.o grad_dens_so.o grad1_so.o diis_driver_so.o diis_bsolve_so.o diis_bld12_so.o diis_core_so.o diis_hamwgt_so.o diis_refvec_so.o movecs_anal_so.o getv_coul.o getv_exch0.o getv_exchX.o getv_exchY.o getv_exchZ.o getv_dftxc.o sym_mo_adapt_so.o sym_char_tab_so.o scf_sym_adap_so.o sym_mo_ap_op_so.o sym_op_clsfy_so.o ga_orth_mos_so.o ga_orthog_so.o sym_op_cname_so.o grad_dens_so2.o dft_scf_utils_so.o dft_frac_mo_so.o xc_exso.o getv_coul_cd.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/so_dft' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/so_dft' Making all in coulomb gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/coulomb' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/coulomb' Compiling dft_3cincor.F... dft_3cincor.F:91:26: 91 | integer size_atblock | ^ Warning: 'size_atblock' may be used uninitialized [-Wmaybe-uninitialized] Compiling dft_mem3c.F... Compiling dft_fitcd.F... dft_fitcd.F:93:33: 91 | call ycopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 92 | else 93 | call ycopy(nbf_cd*nfit, 0.D0, 0, Dbl_MB(iTvec), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_fitcd.F:202:25: 91 | call ycopy(nbf_cd*nfit, Tvec, 1, dbl_mb(iTvec), 1) | 2 ...... 202 | call ycopy(nbf_cd,0.D0,0,dbl_mb(iTcgtf),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_fitvc.F... Compiling dft_genspm.F... Compiling dft_get2eri.F... Compiling dft_getspm.F... Compiling dft_getvc.F... Compiling dft_n3c.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/coulomb' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/coulomb' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a dft_3cincor.o dft_mem3c.o dft_fitcd.o dft_fitvc.o dft_genspm.o dft_get2eri.o dft_getspm.o dft_getvc.o dft_n3c.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/coulomb' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/coulomb' Making all in xc gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/xc' Compiling xc_getv.F... Compiling xc_getvxc.F... Compiling xc_exact_pot.F... Compiling xc_sicutil.F... Compiling chk_dens.F... Compiling xc_util.F... xc_util.F:368:55: 363 | xc_getxcfac=rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, | 2 ...... 368 | if(.not.rtdb_get(rtdb, 'dft:libxcon', mt_log, 1, dolibxc)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). xc_util.F:463:54: 455 | if (.not.rtdb_put(rtdb,'dft:cam_exch', mt_log, 1, cam_exch)) | 2 ...... 463 | if (.not.rtdb_put(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling xc_chkdispauto.F... Compiling xc_vdw_init.F... Compiling 2ndDerivB97.c... 2ndDerivB97.c:405:6: warning: variable 'exaa' is used uninitialized whenever 'if' condition is false [-Wsometimes-uninitialized] 405 | if(ra > *tol_rho ) { | ^~~~~~~~~~~~~ 2ndDerivB97.c:458:38: note: uninitialized use occurs here 458 | FX[ _FXC_E ] = ScalGGAX*(ra43*exaa + rb43*exbb); | ^~~~ 2ndDerivB97.c:405:3: note: remove the 'if' if its condition is always true 405 | if(ra > *tol_rho ) { | ^~~~~~~~~~~~~~~~~~ 406 | if(*max_pow_u == 2 ){ 407 | gss3tar(ra,gaa,gamma_xss,xss, 408 | &exaa,&Gex_aa_ra,&Gex_aa_gaa, 409 | &Gex_aa_rara,&Gex_aa_ragaa,&Gex_aa_gaagaa); 410 | }else{ 411 | gss5tar(ra,gaa,gamma_xss,xss, 412 | &exaa,&Gex_aa_ra,&Gex_aa_gaa, 413 | &Gex_aa_rara,&Gex_aa_ragaa,&Gex_aa_gaagaa); 414 | } 415 | //Slater-X and derivatives 416 | ra43 = -CX *pow(ra,(4.0/3.0)); 417 | ra13 = -CX43*pow(ra,(1.0/3.0)); 418 | raM23= -CX49*pow(ra,(-2.0/3.0)); 419 | } else { | ~~~~~~ 420 | ra43 = 0.0; | ~~~~~~~~~~~ 2ndDerivB97.c:385:14: note: initialize the variable 'exaa' to silence this warning 385 | double exaa,exbb; | ^ | = 0.0 2ndDerivB97.c:430:6: warning: variable 'exbb' is used uninitialized whenever 'if' condition is false [-Wsometimes-uninitialized] 430 | if(rb > *tol_rho ) { | ^~~~~~~~~~~~~ 2ndDerivB97.c:458:50: note: uninitialized use occurs here 458 | FX[ _FXC_E ] = ScalGGAX*(ra43*exaa + rb43*exbb); | ^~~~ 2ndDerivB97.c:430:3: note: remove the 'if' if its condition is always true 430 | if(rb > *tol_rho ) { | ^~~~~~~~~~~~~~~~~~ 431 | if(*max_pow_u == 2 ){ 432 | gss3tar(rb,gbb,gamma_xss,xss, 433 | &exbb,&Gex_bb_rb,&Gex_bb_gbb, 434 | &Gex_bb_rbrb,&Gex_bb_rbgbb,&Gex_bb_gbbgbb); 435 | }else{ 436 | gss5tar(rb,gbb,gamma_xss,xss, 437 | &exbb,&Gex_bb_rb,&Gex_bb_gbb, 438 | &Gex_bb_rbrb,&Gex_bb_rbgbb,&Gex_bb_gbbgbb); 439 | } 440 | //Slater-X, more or less 441 | rb43 = -CX *pow(rb,(4.0/3.0)); 442 | rb13 = -CX43*pow(rb,(1.0/3.0)); 443 | rbM23= -CX49*pow(rb,(-2.0/3.0)); 444 | } else { | ~~~~~~ 445 | rb43 = 0.0; | ~~~~~~~~~~~ 2ndDerivB97.c:385:19: note: initialize the variable 'exbb' to silence this warning 385 | double exaa,exbb; | ^ | = 0.0 2ndDerivB97.c:499:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^ 2ndDerivB97.c:499:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 499 | double Gec_a0=0.0,Gec_b0=0.0; | ^ 2ndDerivB97.c:558:6: warning: variable 'Gec_a0_ra' is used uninitialized whenever 'if' condition is false [-Wsometimes-uninitialized] 558 | if(ra > *tol_rho) { | ^~~~~~~~~~~~~ 2ndDerivB97.c:592:27: note: uninitialized use occurs here 592 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; | ^~~~~~~~~ 2ndDerivB97.c:558:3: note: remove the 'if' if its condition is always true 558 | if(ra > *tol_rho) { | ^~~~~~~~~~~~~~~~~ 559 | dft_xckernel_pwlda(ra, 0.0, 560 | FCLDA); 561 | //ec_ra0 *= ra; 562 | ec_a0 =FCLDA[_FXC_E] ; 563 | Gec_a0_ra =FCLDA[_FXC_RA] ; 564 | //Gec_a0_rb =0.0;//FCLDA[_FXC_RB] ; 565 | Gec_a0_rara=FCLDA[_FXC_RARA]; 566 | //Gec_a0_rbrb=0.0;//FCLDA[_FXC_RBRB]; 567 | //Gec_a0_rarb=0.0;//FCLDA[_FXC_RARB]; 568 | } else { | ~~~~~~ 569 | ec_a0 = 0.0; | ~~~~~~~~~~~~ 570 | Gec_a0 = 0.0; | ~~~~~~~~~~~~~ 571 | Gec_a0_rara = 0.0; | ~~~~~~~~~~~~~~~~~~ 572 | } | ~ 2ndDerivB97.c:500:19: note: initialize the variable 'Gec_a0_ra' to silence this warning 500 | double Gec_a0_ra,Gec_a0_rara; | ^ | = 0.0 2ndDerivB97.c:575:6: warning: variable 'Gec_b0_rb' is used uninitialized whenever 'if' condition is false [-Wsometimes-uninitialized] 575 | if(rb > *tol_rho) { | ^~~~~~~~~~~~~ 2ndDerivB97.c:593:27: note: uninitialized use occurs here 593 | Gec_ab_rb = Gec_ab_rb - Gec_b0_rb; | ^~~~~~~~~ 2ndDerivB97.c:575:3: note: remove the 'if' if its condition is always true 575 | if(rb > *tol_rho) { | ^~~~~~~~~~~~~~~~~ 576 | dft_xckernel_pwlda(0.0, rb, 577 | FCLDA); 578 | //ec_rb0 *= rb; 579 | ec_b0 =FCLDA[_FXC_E] ; 580 | //Gec_b0_ra =0.0;//FCLDA[_FXC_RA] ; 581 | Gec_b0_rb =FCLDA[_FXC_RB] ; 582 | //Gec_b0_rara=0.0;//FCLDA[_FXC_RARA]; 583 | Gec_b0_rbrb=FCLDA[_FXC_RBRB]; 584 | //Gec_b0_rarb=0.0;//FCLDA[_FXC_RARB]; 585 | } else { | ~~~~~~ 586 | ec_b0 = 0.0; | ~~~~~~~~~~~~ 587 | Gec_b0 = 0.0; | ~~~~~~~~~~~~~ 588 | Gec_b0_rbrb = 0.0; | ~~~~~~~~~~~~~~~~~~ 589 | } | ~ 2ndDerivB97.c:501:19: note: initialize the variable 'Gec_b0_rb' to silence this warning 501 | double Gec_b0_rb,Gec_b0_rbrb; | ^ | = 0.0 6 warnings generated. gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/xc' Compiling xc_eval_basis.F... xc_eval_basis.F:2530:20: 1031 | call ycopy(nq, drad, 1, chi, 1) | 2 ...... 2530 | call ycopy(nq,0d0,0,crad,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling a_dist.F... Compiling eumac.F... Compiling qdist.F... Compiling scat_mat.F... Compiling setACmat.F... Compiling xc_becke88.F... Compiling xc_dirac.F... Compiling xc_bnl.F... Compiling xc_dirac_screened.F... Compiling xc_fitv.F... Compiling xc_hfexch.F... Compiling xc_lebedev.F... Compiling xc_lyp88.F... Compiling xc_perdew86.F... Compiling xc_perdew91.F... Compiling xc_pw91lda.F... Compiling xc_pw91ldag.F... Compiling xc_rhogen.F... Compiling xc_tabcd.F... Compiling xc_vwn_1.F... Compiling xc_vwn_1_rpa.F... Compiling xc_vwn_2.F... Compiling xc_vwn_3.F... Compiling xc_vwn_4.F... Compiling xc_vwn_5.F... Compiling xc_eval_fnl.F... xc_eval_fnl.F:2046:29: 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'laprho' at (1) (rank-1 and scalar) xc_eval_fnl.F:2046:43: 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'lmat' at (1) (rank-1 and scalar) Compiling xc_fd.F... Compiling xc_pbe96.F... xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:30:26: 30 | double precision fac, facl | ^ Warning: 'fac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then | ^ Warning: 'id_cpbe' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:24:31: 24 | integer ipol, nq, id_cpbe | ^ note: 'id_cpbe' was declared here xc_pbe96.F:374:36: 374 | if (abs(cfac(6)).gt.EPS.or.lfac) then | ^ Warning: 'lfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:18: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'lfac' was declared here xc_pbe96.F:1423:13: 1423 | if (nlfac) then | ^ Warning: 'nlfac' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:28:25: 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here xc_pbe96.F:1169:72: 1169 | D + d3fAtnumdt2dA/fAtden | ^ Warning: 'dfatnumda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:51: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumda' was declared here xc_pbe96.F:1169:72: 1169 | D + d3fAtnumdt2dA/fAtden | ^ Warning: 'dfatnumdt' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:107:40: 107 | double precision fAtnum, dfAtnumdt, dfAtnumdA | ^ note: 'dfatnumdt' was declared here xc_pbe96.F:1085:72: 1085 | fAtden3 = fAtden2*fAtden | ^ Warning: 'fatden2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:124:30: 124 | double precision fAtden2 | ^ note: 'fatden2' was declared here xc_pbe96.F:1169:72: 1169 | D + d3fAtnumdt2dA/fAtden | ^ Warning: 'd2fatnumdt2' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:34: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdt2' was declared here xc_pbe96.F:1181:72: 1181 | B (fAtden4) | ^ Warning: 'd2fatnumdtda' may be used uninitialized [-Wmaybe-uninitialized] xc_pbe96.F:137:48: 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdtda' was declared here Compiling xc_hcth.F... Compiling xc_xpbe96.F... Compiling xc_xpw91.F... Compiling xc_tarad.F... Compiling xc_murakn.F... Compiling xc_mitani.F... Compiling xc_mitani_dmr.F... Compiling xc_signf.F... Compiling xc_gill96.F... Compiling xc_xmpw91.F... Compiling xc_xpkzb99.F... Compiling xc_cpkzb99.F... Compiling xc_cMpbe96.F... Compiling xc_xtpss03.F... Compiling xc_ctpss03.F... Compiling xc_oep.F... Compiling xc_sic_pert.F... Compiling xc_sic.F... Compiling localize_sic.F... Compiling xc_optx.F... Compiling xc_optc.F... Compiling xc_atomblock.F... Compiling xc_replicated.F... Compiling xc_ft97.F... Compiling xc_lb94.F... Compiling xc_cs00.F... Compiling xc_op.F... Compiling xc_kop.F... Compiling xc_bc95.F... Compiling xc_xm05.F... xc_xm05.F:53:26: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ Warning: 'at1' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at10' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:31: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ note: 'at10' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at11' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:54:37: 54 | double precision at, at10, at11, C1, C2, fL, fNL | ^ note: 'at11' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at2' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:31: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at2' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at3' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:36: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at3' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at4' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:41: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at4' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at5' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:46: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at5' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at6' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:51: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at6' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at7' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:56: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at7' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at8' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:61: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at8' was declared here xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at9' may be used uninitialized [-Wmaybe-uninitialized] xc_xm05.F:53:66: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at9' was declared here Compiling xc_cm05.F... xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:36: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss1' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:42: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss2' was declared here xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) | ^ Warning: 'sss3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:48: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss3' was declared here xc_cm05.F:339:72: 339 | W = sss0+U*(sss1+U*(sss2+U*(sss3+U*sss4))) | ^ Warning: 'sss4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:275:54: 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss4' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp1' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:41: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp1' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp2' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:47: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp2' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp3' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:54: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp3' was declared here xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) | ^ Warning: 'sopp4' may be used uninitialized [-Wmaybe-uninitialized] xc_cm05.F:82:61: 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp4' was declared here Compiling xc_xpw6.F... Compiling xc_xvs98.F... Compiling xc_cvs98.F... Compiling xc_xm06.F... Compiling xc_cm06.F... Compiling xc_spbe96.F... Compiling xc_kt1.F... Compiling xc_ssbD_1.F... Compiling xc_s12x.F... Compiling xc_cams12x.F... Compiling xc_camb88.F... Compiling xc_att_xc.F... Compiling xc_camxpbe96.F... Compiling xc_camxlsd.F... Compiling xc_xwpbe.F... Compiling hse08fx.F... Compiling xc_xsogga.F... xc_xsogga.F:56:27: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa0' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:32: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ Warning: 'cxa1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:266:72: 266 | fa2 = CxA2 *Ffrac**F2 | ^ Warning: 'cxa2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:37: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa2' was declared here xc_xsogga.F:267:72: 267 | fa3 = CxA3 *Ffrac**F3 | ^ Warning: 'cxa3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:42: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa3' was declared here xc_xsogga.F:268:72: 268 | fa4 = CxA4 *Ffrac**F4 | ^ Warning: 'cxa4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:47: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa4' was declared here xc_xsogga.F:269:72: 269 | fa5 = CxA5 *Ffrac**F5 | ^ Warning: 'cxa5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:56:52: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 | ^ note: 'cxa5' was declared here xc_xsogga.F:57:32: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ Warning: 'cxb1' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:272:72: 272 | fb2 = CxB2 *Fexp**F2 | ^ Warning: 'cxb2' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:37: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb2' was declared here xc_xsogga.F:273:72: 273 | fb3 = CxB3 *Fexp**F3 | ^ Warning: 'cxb3' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:42: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb3' was declared here xc_xsogga.F:274:72: 274 | fb4 = CxB4 *Fexp**F4 | ^ Warning: 'cxb4' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:47: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb4' was declared here xc_xsogga.F:275:72: 275 | fb5 = CxB5 *Fexp**F5 | ^ Warning: 'cxb5' may be used uninitialized [-Wmaybe-uninitialized] xc_xsogga.F:57:52: 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb5' was declared here Compiling xc_xmvs15.F... Compiling xc_xm11.F... Compiling xc_xmn12.F... Compiling xc_xmn15.F... Compiling xc_csogga.F... xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ Warning: 'cca[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:190:72: 190 | fa2 = CcA(2) *Ffrac**F2 | ^ Warning: 'cca[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[2]' was declared here xc_csogga.F:191:72: 191 | fa3 = CcA(3) *Ffrac**F3 | ^ Warning: 'cca[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[3]' was declared here xc_csogga.F:192:72: 192 | fa4 = CcA(4) *Ffrac**F4 | ^ Warning: 'cca[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[4]' was declared here xc_csogga.F:193:72: 193 | fa5 = CcA(5) *Ffrac**F5 | ^ Warning: 'cca[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'cca[5]' was declared here xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ Warning: 'ccb[1]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:196:72: 196 | fb2 = CcB(2) *Fexp**F2 | ^ Warning: 'ccb[2]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[2]' was declared here xc_csogga.F:197:72: 197 | fb3 = CcB(3) *Fexp**F3 | ^ Warning: 'ccb[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[3]' was declared here xc_csogga.F:198:72: 198 | fb4 = CcB(4) *Fexp**F4 | ^ Warning: 'ccb[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[4]' was declared here xc_csogga.F:199:72: 199 | fb5 = CcB(5) *Fexp**F5 | ^ Warning: 'ccb[5]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: 65 | double precision CcA(0:5),CcB(0:5) | ^ note: 'ccb[5]' was declared here Compiling xc_cm11.F... Compiling steric_energy.F... Compiling xc_3rd_deriv.F... Compiling xc_xpw86.F... Compiling xc_xb86b.F... Compiling xc_xdm.F... xc_xdm.F:29:56: 25 | & lxdm)) lxdm = 0 | 2 ...... 29 | if (.not. rtdb_get(rtdb,'dft:xdmsave', mt_log, 1, savedvml)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling ts_eval_fnl.F... Compiling ts_tf.F... Compiling ts_vw.F... Compiling xc_xn12.F... xc_xn12.F:196:11: 196 | CC00 = 1.00000D+00 | ^ Warning: 'cc00' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:197:11: 197 | CC01 = 5.07880D-01 | ^ Warning: 'cc01' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:198:11: 198 | CC02 = 1.68233D-01 | ^ Warning: 'cc02' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:199:11: 199 | CC03 = 1.28887D-01 | ^ Warning: 'cc03' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc10' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:200:11: 200 | CC10 = 8.60211D-02 | ^ note: 'cc10' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc11' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:201:11: 201 | CC11 = -1.71008D+01 | ^ note: 'cc11' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc12' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:202:11: 202 | CC12 = 6.50814D+01 | ^ note: 'cc12' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc13' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:203:11: 203 | CC13 = -7.01726D+01 | ^ note: 'cc13' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc20' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:204:11: 204 | CC20 = -3.90755D-01 | ^ note: 'cc20' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc21' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:205:11: 205 | CC21 = 5.13392D+01 | ^ note: 'cc21' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc22' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:206:11: 206 | CC22 = -1.66220D+02 | ^ note: 'cc22' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc23' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:207:11: 207 | CC23 = 1.42738D+02 | ^ note: 'cc23' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc30' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:208:11: 208 | CC30 = 4.03611D-01 | ^ note: 'cc30' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc31' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:209:11: 209 | CC31 = -3.44631D+01 | ^ note: 'cc31' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc32' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:210:11: 210 | CC32 = 7.61661D+01 | ^ note: 'cc32' was declared here xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 | ^ Warning: 'cc33' may be used uninitialized [-Wmaybe-uninitialized] xc_xn12.F:211:11: 211 | CC33 = -2.41834D+00 | ^ note: 'cc33' was declared here Compiling xc_xscan.F... xc_xscan.F:334:72: 334 | dFxda = G*(dHda + dFada*(rH0 - H) - Fa*dHda) | ^ Warning: 'dfada' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:154:28: 154 | double precision dFada | ^ note: 'dfada' was declared here xc_xscan.F:145:42: 145 | double precision regalpha, dregalpha | ^ Warning: 'dregalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:281:72: 281 | Fx = G*(H + Fa*(rH0 - H)) | ^ Warning: 'fa' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:149:29: 149 | double precision Fx, Fa | ^ note: 'fa' was declared here xc_xscan.F:232:72: 232 | oma = 1d0 - regalpha | ^ Warning: 'regalpha' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:145:31: 145 | double precision regalpha, dregalpha | ^ note: 'regalpha' was declared here xc_xscan.F:298:72: 298 | dadr = 5d0/3d0*(p - a)*tauU*rrho/(tauU +1d-4*facttwo**f53) | ^ Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:135:32: 135 | double precision p, p14, a, g2 | ^ note: 'a' was declared here xc_xscan.F:323:72: 323 | dFada = -(rC1*exp4 + rD*exp5*rC2)/oma2 | ^ Warning: 'exp4' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:143:45: 143 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp4' was declared here xc_xscan.F:329:72: 329 | dFada = -rD*exp5*rC2/oma2*dregalpha | ^ Warning: 'exp5' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:143:51: 143 | double precision exp1, exp2, exp3, exp4, exp5 | ^ note: 'exp5' was declared here xc_xscan.F:159:37: 159 | double precision dadp,dadg,dadt,dadr | ^ Warning: 'dadt' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:337:72: 337 | dFxdg = dFxda*dadg + dFxdp*dpdg | ^ Warning: 'dadg' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:159:32: 159 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadg' was declared here xc_xscan.F:336:72: 336 | dFxdr = dFxda*dadr + dFxdp*dpdr | ^ Warning: 'dadr' may be used uninitialized [-Wmaybe-uninitialized] xc_xscan.F:159:42: 159 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadr' was declared here Compiling xc_cscan.F... xc_cscan.F:115:33: 115 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ Warning: 'dfcada' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:341:72: 341 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'fca' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:115:26: 115 | double precision fca,dfcada,dfcadg,dfcadzeta,dfcadn | ^ note: 'fca' was declared here xc_cscan.F:323:72: 323 | dalphadn = 5d0/3d0*(p/ds-alpha)*tueg/((tueg+1d-4*ds)*ntot) | ^ Warning: 'alpha' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:28: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'alpha' was declared here xc_cscan.F:341:72: 341 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) | ^ Warning: 'dalphadg' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:58: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadg' was declared here xc_cscan.F:332:72: 332 | & ntot*(dEc1dn + fca*(dEc0dn-dEc1dn) + dfcadn*(Ec0-Ec1)) | ^ Warning: 'dalphadn' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:49: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadn' was declared here xc_cscan.F:346:72: 346 | & ntot*dfcada*dalphadt*(Ec0-Ec1) | ^ Warning: 'dalphadt' may be used uninitialized [-Wmaybe-uninitialized] xc_cscan.F:113:67: 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadt' was declared here Compiling xc_xscanl.F... Compiling xc_cscanl.F... xc_cscanl.F:359:72: 359 | & dfcadt*(Ec0-Ec1)*dtdgb) | ^ Warning: 'dtdgb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:49: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdgb' was declared here xc_cscanl.F:361:72: 361 | Lmat(n,2) = Lmat(n,2) + ntot*dfcadt*dtdlb*(Ec0-Ec1) | ^ Warning: 'dtdlb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:63: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdlb' was declared here xc_cscanl.F:355:72: 355 | Amat(n,2) = Amat(n,2) + vcn + ntot*dfcadt*(Ec0-Ec1)*dtdnb | ^ Warning: 'dtdnb' may be used uninitialized [-Wmaybe-uninitialized] xc_cscanl.F:112:35: 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ note: 'dtdnb' was declared here Compiling ts_pc.F... Compiling xc_xncap.F... Compiling xc_xr2scan.F... Compiling xc_xr2scanl.F... Compiling xc_cr2scan.F... Compiling xc_cr2scanl.F... Compiling xc_hcth_extra.F... Compiling xc_rhogen_adft.F... Compiling xc_tabcd_adft.F... Compiling xc_vdw_main.F... xc_vdw_main.F:516:53: 479 | if (.not.rtdb_get(rtdb,'dft:ivdw',MT_INT,1,ivdw)) | 2 ...... 516 | if (.not.rtdb_get(rtdb,'dft:vdwalpha',MT_DBL,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling xc_vdw_util.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/xc' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/xc' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a xc_getv.o xc_getvxc.o xc_exact_pot.o xc_sicutil.o chk_dens.o xc_util.o xc_chkdispauto.o xc_vdw_init.o 2ndDerivB97.o xc_eval_basis.o a_dist.o eumac.o qdist.o scat_mat.o setACmat.o xc_becke88.o xc_dirac.o xc_bnl.o xc_dirac_screened.o xc_fitv.o xc_hfexch.o xc_lebedev.o xc_lyp88.o xc_perdew86.o xc_perdew91.o xc_pw91lda.o xc_pw91ldag.o xc_rhogen.o xc_tabcd.o xc_vwn_1.o xc_vwn_1_rpa.o xc_vwn_2.o xc_vwn_3.o xc_vwn_4.o xc_vwn_5.o xc_eval_fnl.o xc_fd.o xc_pbe96.o xc_hcth.o xc_xpbe96.o xc_xpw91.o xc_tarad.o xc_murakn.o xc_mitani.o xc_mitani_dmr.o xc_signf.o xc_gill96.o xc_xmpw91.o xc_xpkzb99.o xc_cpkzb99.o xc_cMpbe96.o xc_xtpss03.o xc_ctpss03.o xc_oep.o xc_sic_pert.o xc_sic.o localize_sic.o xc_optx.o xc_optc.o xc_atomblock.o xc_replicated.o xc_ft97.o xc_lb94.o xc_cs00.o xc_op.o xc_kop.o xc_bc95.o xc_xm05.o xc_cm05.o xc_xpw6.o xc_xvs98.o xc_cvs98.o xc_xm06.o xc_cm06.o xc_spbe96.o xc_kt1.o xc_ssbD_1.o xc_s12x.o xc_cams12x.o xc_camb88.o xc_att_xc.o xc_camxpbe96.o xc_camxlsd.o xc_xwpbe.o hse08fx.o xc_xsogga.o xc_xmvs15.o xc_xm11.o xc_xmn12.o xc_xmn15.o xc_csogga.o xc_cm11.o steric_energy.o xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o ts_eval_fnl.o ts_tf.o ts_vw.o xc_xn12.o xc_xscan.o xc_cscan.o xc_xscanl.o xc_cscanl.o ts_pc.o xc_xncap.o xc_xncap.o xc_xr2scan.o xc_xr2scanl.o xc_cr2scan.o xc_cr2scanl.o xc_hcth_extra.o xc_rhogen_adft.o xc_tabcd_adft.o xc_vdw_main.o xc_vdw_util.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/xc' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/xc' Making all in util gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/util' Compiling ga_chol.F... Compiling ga_inverse.F... Compiling ga_chol_seq.F... Compiling ga_inv_seq.F... Compiling dft_invio.F... Compiling dft_print_mats.F... dft_print_mats.F:85:27: 62 | call ga_get(g_s, ibf, ibf, jbf, jbf, val, 1) | 2 ...... 85 | call ga_get(g_svecs, ibf, ibf, jbf, jbf, val, 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_save_mats.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/util' Compiling dft_gather.F... Compiling dft_header.F... Compiling dft_mpole.F... Compiling dft_scatter.F... Compiling dft_tstamp.F... Compiling dft_pstrace.F... Compiling get_col.F... Compiling movecs_log.F... Compiling nbf_to_mbf.F... Compiling dft_frozemb.F... Compiling dft_frozemb_fde.F... dft_frozemb_fde.F:238:20: 37 | if (rtdb_get(rtdb, 'dft:cam_exch', mt_log, 1, cam_exch)) then | 2 ...... 238 | & mt_dbl,1,tol2e_sleazy)) tol2e_sleazy = 1.d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_frozemb_fde.F:360:41: 360 | call grid_quadv0_fde(rtdb, g_dens, g_electronic_fde, | 1 Warning: Rank mismatch in argument 'g_vxc' at (1) (rank-1 and scalar) dft_frozemb_fde.F:492:31: 202 | call dfill(nbf_fde, 0.0d0, dbl_mb(k_svals), 1) | 2 ...... 492 | call dfill(mbf_ao*mbf_ao,0,dbl_mb(k_fock_fde),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling int_1e_fde.F... Compiling sca_lab_mat.F... Compiling dft_utilmap.F... dft_utilmap.F:68:41: 68 | integer lo(3),hi(3),ld(2),ld12,offs | ^ Warning: 'offs' may be used uninitialized [-Wmaybe-uninitialized] Compiling dft_genutils.F... dft_genutils.F:45:72: 45 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dft_genutils.F:125:28: 36 | call ga_check_handle (g_a, | 2 ...... 125 | call ga_check_handle (g_a, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:128:23: 39 | call ga_inquire (g_a, dtype, n1, n2) | 2 ...... 128 | call ga_inquire (g_a, dtype, n1, n2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_genutils.F:134:72: 134 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dft_cholinv.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/util' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/util' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a ga_chol.o ga_inverse.o ga_chol_seq.o ga_inv_seq.o dft_invio.o dft_print_mats.o dft_save_mats.o dft_gather.o dft_header.o dft_mpole.o dft_scatter.o dft_tstamp.o dft_pstrace.o get_col.o movecs_log.o nbf_to_mbf.o dft_frozemb.o dft_frozemb_fde.o int_1e_fde.o sca_lab_mat.o dft_utilmap.o dft_genutils.o dft_cholinv.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/util' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/util' Making all in grid gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/grid' Compiling grid_sic.F... Compiling grid_checks.F... Compiling grid_balance.F... Compiling grid_rtrunc.F... grid_rtrunc.F:110:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 109 | if(llind) then 110 | call ga_dgop(msg_igop_tru1,exex,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:112:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 112 | call ga_dgop(msg_igop_tru4,shiftm,ntypes,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_rtrunc.F:116:33: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') | 2 ...... 116 | call ga_dgop(msg_igop_tru6,minexp,ncenters,'max') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_atom_type_info.F... Compiling grid_setquad.F... Compiling grid_setrad.F... grid_setrad.F:121:58: 46 | & tol_reset)) tol_reset = .true. | 2 ...... 121 | if (.not. rtdb_get(rtdb,'dft:braggmult', mt_dbl, 1, braggmult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling grid_setang.F... Compiling grid_invariant.F... grid_invariant.F:235:19: 151 | call ycopy(9,0d0,0,qrot, 1) | 2 ...... 235 | call ycopy(9,qrot,1,qin,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_invariant.F:107:22: 107 | call ycopy(9,qrot,1,c,1) | 1 ...... 151 | call ycopy(9,0d0,0,qrot, 1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling grid_list.F... Compiling grid_setspac_params.F... Compiling grid_acc_def.F... grid_acc_def.F:336:57: 317 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 336 | if (.not. rtdb_get(rtdb, 'dft:ngridin', mt_int, 1, ngridin)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). grid_acc_def.F:598:56: 420 | & job_grid_acc)) | 2 ...... 598 | if (.not. rtdb_put(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling grid_memory.F... Compiling grid_update_rtdb.F... grid_update_rtdb.F:33:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 33 | if (.not. rtdb_put(rtdb,'dft:nrad', mt_int, dft_ntags_bsmx, nrad)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_update_rtdb.F:36:66: 27 | if (.not. rtdb_put(rtdb, 'dft:nagrid', mt_int, 1, nagrid)) | 2 ...... 36 | if (.not. rtdb_put(rtdb,'dft:nang', mt_int, dft_ntags_bsmx, nang)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling grid_tasks.F... Compiling grid_gen_pts.F... Compiling grid_setspac.F... Compiling grid_neighb.F... Compiling grid_cleanup.F... Compiling grid_gaussq.F... Compiling grid_finpts.F... Compiling grid_init.F... grid_init.F:83:22: 30 | if (.not. rtdb_get(rtdb, 'dft:mxnrad', mt_int, 1, mxnrad)) | 2 ...... 83 | $ MT_LOG, 1, dosympts)) dosympts=oskel | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling grid_loop.F... Compiling grid_xcfit.F... Compiling dftg_loop.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/grid' Compiling grid_pscreen.F... Compiling grid_sphere.F... Compiling grid_ssw.F... Compiling grid_sswold.F... grid_sswold.F:91:72: 91 | radwgh=(1.d0-ass)*sqrt(distnn)*0.5d0 | ^ Warning: 'ass' may be used uninitialized [-Wmaybe-uninitialized] grid_sswold.F:36:26: 36 | double precision ass,distnc,distnn,wsum | ^ note: 'ass' was declared here Compiling grid_beckew.F... Compiling grid_signf.F... Compiling grid_quadvw.F... Compiling grid_quadvw1.F... Compiling grid_bucket.F... Compiling grid_utils.F... Compiling grid_sympts.F... grid_sympts.F:146:17: 146 | , log10((abs(wsum-1d0))), UNKNOWN_ERR) | 1 ...... 193 | ' ' grid_c5trash: mpush get failed',1, MA_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling grid_qpts.F... Compiling grid_quadv0.F... grid_quadv0.F:463:72: 463 | & dbl_mb(irdens_atom), nbf_xc_mxnbf_ce) | 1 Warning: More actual than formal arguments in procedure call at (1) grid_quadv0.F:617:51: 210 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 617 | & call errquit(pname//'failed duplicate',g_vxc, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0.F:779:60: 197 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 779 | if (.not. rtdb_get(rtdb, 'dft:iAOacc', mt_int, 1, iAOacc))then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). grid_quadv0.F:911:47: 210 | & pname//'could not open grid file',0,DISK_ERR) | 2 ...... 911 | & call errquit(pname//'failed destroy',g_fde, GA_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'ixyz_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:149:22: 149 | integer ixyz_fde, lxyz_fde | ^ note: 'ixyz_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:135:36: 135 | integer lCmat3_fde, iCmat3_fde | ^ note: 'icmat3_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icmat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:134:36: 134 | integer lCmat2_fde, iCmat2_fde | ^ note: 'icmat2_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat3_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:132:36: 132 | integer lAmat3_fde, iAmat3_fde | ^ note: 'iamat3_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'iamat2_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:131:36: 131 | integer lAmat2_fde, iAmat2_fde | ^ note: 'iamat2_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'icetobfr_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:125:26: 125 | integer icetobfr_fde, lcetobfr_fde | ^ note: 'icetobfr_fde' declared here grid_quadv0.F:819:72: 819 | & dbl_mb(irdelchi_atom_fde), dbl_mb(i_rq_fde), rho_int_fde) | ^ Warning: 'irdens_atom_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0.F:126:29: 126 | integer irdens_atom_fde, lrdens_atom_fde | ^ note: 'irdens_atom_fde' declared here Compiling grid_quadv0a.F... grid_quadv0a.F:237:34: 237 | call ga_dgop(Msg_Excrho, StericEnergyTotal , 1, '+') ! sum energy over all nodes | 1 ...... 274 | call ga_dgop(2015, q_becke , ncenters, '+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0a.F:243:9: 243 | if(oprint_qbecke) then | ^ Warning: 'oprint_qbecke' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0a.F:63:27: 63 | logical oprint_qbecke | ^ note: 'oprint_qbecke' was declared here Compiling grid_quadv0b.F... grid_quadv0b.F:302:11: 289 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 302 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_quadv0b.F:302:30: 289 | & iniz, docset, bas_cent_info, bas_cset_info) | 2 ...... 302 | & bas_cent_info_fde, bas_cset_info_fde) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). grid_quadv0b.F:745:28: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 745 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:770:48: 711 | & 0d0,0d0,0d0,0d0, | 2 ...... 770 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:770:53: 711 | & 0d0,0d0,0d0,0d0, | 2 ...... 770 | E Dbl_MB(iEmat), Dbl_MB(iFmat), qxyz,xyz, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) grid_quadv0b.F:778:29: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 778 | & .false.,0d0,0d0, dbl_mb(k_scr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:806:29: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 806 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:830:26: 720 | & kslap,dbl_MB(iGmat),Lmat,0d0) | 2 ...... 830 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) grid_quadv0b.F:467:72: 467 | & ttau_fde, kske, do_xdm) | ^ Warning: 'ilap_fde' may be used uninitialized [-Wmaybe-uninitialized] grid_quadv0b.F:92:32: 92 | integer llap_fde, ilap_fde | ^ note: 'ilap_fde' was declared here Compiling grid_quadvc.F... Compiling grid_file.F... Compiling grid_eaf.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/grid' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/grid' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a grid_sic.o grid_checks.o grid_balance.o grid_rtrunc.o grid_atom_type_info.o grid_setquad.o grid_setrad.o grid_setang.o grid_invariant.o grid_list.o grid_setspac_params.o grid_acc_def.o grid_memory.o grid_update_rtdb.o grid_tasks.o grid_gen_pts.o grid_setspac.o grid_neighb.o grid_cleanup.o grid_gaussq.o grid_finpts.o grid_init.o grid_loop.o grid_xcfit.o dftg_loop.o grid_pscreen.o grid_sphere.o grid_ssw.o grid_sswold.o grid_beckew.o grid_signf.o grid_quadvw.o grid_quadvw1.o grid_bucket.o grid_utils.o grid_sympts.o grid_qpts.o grid_quadv0.o grid_quadv0a.o grid_quadv0b.o grid_quadvc.o grid_file.o grid_eaf.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/grid' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/grid' Making all in dftgrad gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/dftgrad' Compiling dft_grad_top.F... Compiling dftg_getxc.F... Compiling dft_gradients.F... dft_gradients.F:544:52: 143 | if (.not.rtdb_get(rtdb,'dft:cgmin', mt_log, 1, cgmin)) | 2 ...... 544 | if (.not.rtdb_get(rtdb, 'dft:xdm', mt_int, 1, xdmdisp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dft_gradients.F:571:22: 550 | if (.not. rtdb_put(rtdb,'dft:xdmsave', mt_log, 1, .false.)) | 2 ...... 571 | $ lforce, dbl_mb(k_force))) call errquit | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_gradients.F:616:34: 614 | call intdd_init(rtdb,2,nmo) | 2 615 | else 616 | call intdd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_gradients.F:657:33: 655 | call intd_init(rtdb,2,nmo) | 2 656 | else 657 | call intd_init(rtdb,1,ao_bas_han) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling grad_dft.F... Compiling dftg_getcden.F... Compiling dftg_getxden.F... Compiling dftg_gridpart.F... Compiling dftg_gridv0a.F... dftg_gridv0a.F:147:56: 144 | if (.not. rtdb_get(rtdb, 'dft:lcdft', mt_log, 1, lcdft)) | 2 ...... 147 | if (.not. rtdb_get(rtdb, 'dft:ipop', mt_int, 1, ipop)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dftg_gridv0a.F:162:72: 162 | & call errquit('dft_gridv0a: get multipliers failed', 0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dftg_gridv0.F... dftg_gridv0.F:195:9: 177 | if (.not. rtdb_get(rtdb, 'dft:grad_nq', mt_int, 1, nqstep)) | 2 ...... 195 | & ldew))ldew=.true. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dftg_gridv0.F:33:28: 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-2 and scalar) dftg_gridv0.F:33:33: 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-1 and scalar) Compiling dftg_gridv0b.F... dftg_gridv0b.F:332:22: 294 | & natoms, 1,1,1, | 2 ...... 332 | N natoms, curatoms, ncuratoms, 1, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dftg_gridv0b.F:574:14: 549 | & 0d0,0,3*ncuratoms, | 2 ...... 574 | & curatoms, ncuratoms, 1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dftg_griddo.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/dftgrad' Compiling dftg_cdfit.F... dftg_cdfit.F:31:43: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_cdfit.F:31:48: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) dftg_cdfit.F:31:51: 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'db' at (1) (rank-3 and scalar) Compiling dftg_quadv0b.F... Compiling dftg_grad2.F... dftg_grad2.F:35:45: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-4 and scalar) dftg_grad2.F:35:51: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, | 1 Warning: Rank mismatch in argument 'g_dj' at (1) (rank-2 and scalar) Compiling dint_block_j.F... Compiling j_nucder_gen.F... j_nucder_gen.F:21:55: 21 | call j_deriv_gen(g_dens, oactive, nactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-2 and scalar) j_nucder_gen.F:38:49: 38 | call j_deriv_gen(g_dens, oactive, nactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) Compiling dftg_beckew.F... Compiling dftg_wderiv.F... Compiling dftg_gridssw.F... Compiling dftg_gridsswold.F... Compiling dftg_signf.F... Compiling dftg_quadv0b_adft.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/dftgrad' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/dftgrad' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a dft_grad_top.o dftg_getxc.o dft_gradients.o grad_dft.o dftg_getcden.o dftg_getxden.o dftg_gridpart.o dftg_gridv0a.o dftg_gridv0.o dftg_gridv0b.o dftg_griddo.o dftg_cdfit.o dftg_quadv0b.o dftg_grad2.o dint_block_j.o j_nucder_gen.o dftg_beckew.o dftg_wderiv.o dftg_gridssw.o dftg_gridsswold.o dftg_signf.o dftg_quadv0b_adft.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/dftgrad' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/dftgrad' Making all in lr_tddft gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/lr_tddft' Compiling tddft_energy.F... tddft_energy.F:163:54: 135 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) | 2 ...... 163 | if (.not.rtdb_get(rtdb,'tddft:ipolar',mt_int,1,ipolar)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_energy.F:308:56: 210 | if (.not. rtdb_put(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) | 2 ...... 308 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling tddft_input.F... tddft_input.F:105:53: 99 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 2 ...... 105 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_input.F:414:56: 170 | if (.not.rtdb_get(rtdb,'tddft:singlet',mt_log,1,singlet)) | 2 ...... 414 | if (.not.rtdb_get(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_init.F... tddft_init.F:151:55: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 151 | if (.not.rtdb_get(rtdb,'dft:cam_omega',mt_dbl,1,cam_omega)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tddft_init.F:200:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 200 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:202:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 202 | if (.not.rtdb_get(rtdb,'dft:nlxfac',mt_log,numfunc,nlxfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:204:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 204 | if (.not.rtdb_get(rtdb,'dft:lcfac',mt_log,numfunc,lcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:206:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 206 | if (.not.rtdb_get(rtdb,'dft:nlcfac',mt_log,numfunc,nlcfac)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:208:57: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 208 | if (.not.rtdb_get(rtdb,'dft:xccomb',mt_log,numfunc,xccomb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:248:52: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 248 | if (.not.rtdb_put(rtdb,'tddft:tda',mt_log,1,tda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_init.F:380:57: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 380 | if (.not.rtdb_put(rtdb,'tddft:owstart',mt_int,2,owstart)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tddft_init.F:382:55: 238 | if (.not.rtdb_put(rtdb,'tddft:nroots',mt_int,1,nroots)) | 2 ...... 382 | if (.not.rtdb_put(rtdb,'tddft:owend',mt_int,2,owend)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_memory.F... Compiling tddft_iguess.F... tddft_iguess.F:172:64: 168 | status = rtdb_get(rtdb,'tddft:lsimpleso',mt_log,1,lsimpleso) | 2 ...... 172 | if(.not.rtdb_get(rtdb,'simpleso:evlso',mt_dbl,2*nbf_ao,evlso)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_dump.F... Compiling tddft_davidson.F... tddft_davidson.F:262:51: 254 | if (.not.rtdb_get(rtdb,'tddft:check',mt_log,1,lcheck)) | 2 ...... 262 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_transfm.F... Compiling tddft_contract.F... Compiling tddft_epsilon.F... Compiling tddft_subspace.F... Compiling tddft_diagon.F... Compiling tddft_residual.F... Compiling tddft_analysis.F... tddft_analysis.F:241:46: 216 | if (.not.rtdb_get(rtdb,'tddft:do_s2',mt_log,1,do_s2)) | 2 ...... 241 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_analysis.F:1756:53: 1439 | + 1,osc_str)) then | 2 ...... 1756 | if (.not.rtdb_put(rtdb,'tddft:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1775:40: 1439 | + 1,osc_str)) then | 2 ...... 1775 | $ 'tddft:wgsrf_cosmo_vem',mt_dbl,1,wgsrf_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_analysis.F:1783:40: 1439 | + 1,osc_str)) then | 2 ...... 1783 | $ 'tddft:wstar_cosmo_vem',mt_dbl,1,wstar_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_dftinit.F... Compiling tddft_finalize.F... Compiling tddft_schmidt.F... Compiling tddft_fold.F... Compiling tddft_bdtensor.F... Compiling tddft_patch.F... Compiling tddft_civecs_phase.F... Compiling tddft_oscstr.F... Compiling tddft_checkpoint.F... Compiling tddft_restart.F... tddft_restart.F:94:42: 75 | call ga_brdcst(Msg_Vec_NBF+MSGINT, ios, inntsize, 0) | 2 ...... 94 | call ga_brdcst(Msg_Vec_stat+MSGINT, nov_verify, 2*inntsize, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_s2.F... Compiling tddft_simpleso.F... Compiling tddft_lanczos.F... tddft_lanczos.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. | 2 143 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 144 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_lanczos.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 148 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_lanczos_tda.F... tddft_lanczos_tda.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. | 2 143 | if (.not.rtdb_get(rtdb,'fock_xc:calc_type',mt_int,1, 144 | 1 calc_type_save)) calc_type_save=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tddft_lanczos_tda.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) | 2 ...... 148 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_dipole.F... Compiling tddft_prod_v.F... tddft_prod_v.F:161:51: 159 | if (.not.rtdb_get(rtdb,'tddft:lecut',mt_log,1,lecut)) | 2 160 | & lecut = .false. 161 | if (.not.rtdb_get(rtdb,'tddft:ecut',mt_dbl,1,ecut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tddft_basis.F... tddft_basis.F:105:29: 61 | call int_init(rtdb, 1, cd_bas_han) | 2 ...... 105 | call int_init(rtdb,2,(/ao_bas_han,cd_bas_han/)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/lr_tddft' Compiling tddft_fock_fit.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/lr_tddft' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/lr_tddft' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a tddft_energy.o tddft_input.o tddft_init.o tddft_memory.o tddft_iguess.o tddft_dump.o tddft_davidson.o tddft_transfm.o tddft_contract.o tddft_epsilon.o tddft_subspace.o tddft_diagon.o tddft_residual.o tddft_analysis.o tddft_dftinit.o tddft_finalize.o tddft_schmidt.o tddft_fold.o tddft_bdtensor.o tddft_patch.o tddft_civecs_phase.o tddft_oscstr.o tddft_checkpoint.o tddft_restart.o tddft_s2.o tddft_simpleso.o tddft_lanczos.o tddft_lanczos_tda.o tddft_dipole.o tddft_prod_v.o tddft_basis.o tddft_fock_fit.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/lr_tddft' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/lr_tddft' Making all in lr_tddft_grad gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/lr_tddft_grad' Compiling tddft_gradient.F... tddft_gradient.F:154:55: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 154 | if (rtdb_get(rtdb,'tddft_grad:debug', mt_log, 1, odebug)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_gradient.F:475:61: 206 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 475 | if (.not. rtdb_put(rtdb,'dft:converged', mt_log, 1, .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tddft_gradient.F:486:49: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 2 ...... 486 | if(rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_init.F... tddft_grad_init.F:179:56: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 179 | if (.not.rtdb_get(rtdb,'dft:lxfac',mt_log,numfunc,lxfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). tddft_grad_init.F:201:53: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 201 | if (.not.rtdb_get(rtdb,'dft:delta_ac',mt_dbl,1,shift)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_init.F:412:24: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) | 2 ...... 412 | + solve_thresh)) solve_thresh=1.0d-4 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_input.F... tddft_grad_input.F:45:19: 37 | & iroot)) call errquit(pname//'failed to write iroot',0,RTDB_ERR) | 2 ...... 45 | & 1,solve_thresh)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tddft_grad_finalize.F... Compiling tddft_grad_print_info.F... Compiling tddft_grad_ints.F... Compiling tddft_grad_print_header.F... Compiling tddft_grad_e.F... Compiling tddft_grad_root_e.F... Compiling tddft_grad_mo.F... Compiling tddft_grad_xy.F... Compiling tddft_grad_load_mo.F... Compiling tddft_grad_load_xy.F... Compiling tddft_grad_tp.F... Compiling tddft_grad_compute_t.F... Compiling tddft_grad_r.F... Compiling tddft_grad_compute_r.F... tddft_grad_compute_r.F:644:60: 182 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 644 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_trans_mo2ao.F... Compiling tddft_grad_trans_ao2mo.F... Compiling tddft_grad_mat_to_vec.F... Compiling tddft_grad_solve.F... Compiling tddft_grad_epsilon.F... Compiling tddft_grad_solve_product.F... tddft_grad_solve_product.F:125:19: 91 | call ga_zero(g_x_3d_ao) | 2 ...... 125 | call ga_zero(g_Ax_3d_mo) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tddft_grad_solve_precond.F... Compiling tddft_grad_compute_p.F... Compiling tddft_grad_compute_w.F... tddft_grad_compute_w.F:565:60: 473 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) | 2 ...... 565 | if (.not.rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,5)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_g.F... Compiling tddft_grad_compute_dao.F... Compiling tddft_grad_get_dens.F... Compiling tddft_grad_compute_g.F... tddft_grad_compute_g.F:823:42: 621 | call tddft_grad_print_array(ipol,1,g_d,dble(ipol)) | 2 ...... 823 | call tddft_grad_print_array(1,1,g_wp_ao,dble(ipol)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:850:39: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 850 | & dbl_mb(k_frc_df0), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tddft_grad_compute_g.F:932:47: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, | 2 ...... 932 | & g_dtmp, dbl_mb(k_frc_dft), dum, idum, calc_type, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tddft_grad_grad_1e.F... Compiling tddft_grad_grad_2e.F... Compiling tddft_grad_make_2pdm.F... Compiling tddft_grad_print_result.F... Compiling tddft_grad_print_array.F... Compiling tddft_grad_compute_energy.F... Compiling tddft_grad_anti_symmetrize.F... Compiling tddft_grad_gxc.F... Compiling tddft_grad_irreg_acc.F... Compiling tddft_grad_fxc_l.F... Compiling tddft_grad_fix_exc.F... Compiling tddft_grad_store_gradient.F... Compiling tddft_grad_util_print.F... Compiling tddft_grad_solve_load_x.F... tddft_grad_solve_load_x.F:121:28: 106 | call ga_brdcst(1001,x_exists,ma_sizeof(MT_LOG,1,MT_BYTE),0) | 2 ...... 121 | call ga_brdcst(1002,itpol,ma_sizeof(MT_INT,1,MT_BYTE),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tddft_grad_solve_save_x.F... Compiling tddft_grad_dxcdmat.F... Compiling tddft_grad_dfxc.F... Compiling tddft_grad_quadv0b.F... Compiling tddft_grad_dvxc.F... Compiling tddft_grad_mpole.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/lr_tddft_grad' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a tddft_gradient.o tddft_grad_init.o tddft_grad_input.o tddft_grad_finalize.o tddft_grad_print_info.o tddft_grad_ints.o tddft_grad_print_header.o tddft_grad_e.o tddft_grad_root_e.o tddft_grad_mo.o tddft_grad_xy.o tddft_grad_load_mo.o tddft_grad_load_xy.o tddft_grad_tp.o tddft_grad_compute_t.o tddft_grad_r.o tddft_grad_compute_r.o tddft_grad_trans_mo2ao.o tddft_grad_trans_ao2mo.o tddft_grad_mat_to_vec.o tddft_grad_solve.o tddft_grad_epsilon.o tddft_grad_solve_product.o tddft_grad_solve_precond.o tddft_grad_compute_p.o tddft_grad_compute_w.o tddft_grad_g.o tddft_grad_compute_dao.o tddft_grad_get_dens.o tddft_grad_compute_g.o tddft_grad_grad_1e.o tddft_grad_grad_2e.o tddft_grad_make_2pdm.o tddft_grad_print_result.o tddft_grad_print_array.o tddft_grad_compute_energy.o tddft_grad_anti_symmetrize.o tddft_grad_gxc.o tddft_grad_irreg_acc.o tddft_grad_fxc_l.o tddft_grad_fix_exc.o tddft_grad_irreg_acc.o tddft_grad_store_gradient.o tddft_grad_util_print.o tddft_grad_solve_load_x.o tddft_grad_solve_save_x.o tddft_grad_dxcdmat.o tddft_grad_dfxc.o tddft_grad_quadv0b.o tddft_grad_dvxc.o tddft_grad_mpole.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/lr_tddft_grad' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/lr_tddft_grad' Making all in zora gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/zora' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/zora' Compiling dft_zora_utils.F... dft_zora_utils.F:281:32: 67 | status=rtdb_get(rtdb,'prop:efgfile',mt_int,1,efgfile) ! for NLMO analysis | 2 ...... 281 | & mt_log,1,skip_csAOev)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_utils.F:213:72: 213 | scale_MO=scf_dbl | ^ Warning: 'scf_dbl' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_utils.F:44:50: 44 | double precision eval_scal,ener_scal,scf_dbl | ^ note: 'scf_dbl' was declared here Compiling dft_zora_utils_so.F... dft_zora_utils_so.F:284:29: 283 | call ga_dgop(20166102, evals, noc, '+') | 2 284 | call ga_dgop(20166103, ener_scal, 1, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dft_zora_rhos.F... dft_zora_rhos.F:560:41: 560 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:564:38: 553 | $ 1,efgz4atoms)) | 2 ...... 564 | $ efgz4atoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_rhos.F:570:41: 570 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos.F:368:19: 368 | call ga_zero(g_orbi) | 1 ...... 492 | call ga_zero(g_densZ4(ispin)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:369:18: 369 | call ga_put(g_orbi,1,nbf,iorb,iorb, | 1 ...... 618 | call ga_put(g_munu_rhoS,1,1,jlo,jhi,v,1) ! v --> g_munu_rhoS | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:373:27: 317 | & g_orb,g_orb,0.d00,g_dens_sf) | 2 ...... 373 | & g_orbj,g_orbi,0.d00,g_dens_sf) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:376:27: 376 | if (.not. ga_destroy(g_orbi)) call errquit( | 1 ...... 514 | if (.not. ga_destroy(g_dens_sf)) call errquit( | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/INTEGER(8)). dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'ipol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:453:24: 453 | integer ispin,ipol,iorb,porb,nbf | ^ note: 'ipol' declared here dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) | ^ Warning: 'noc1' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos.F:458:18: 458 | integer noc1 ! Total # of occupied MOs | ^ note: 'noc1' declared here Compiling dft_zora_rhos_so.F... dft_zora_rhos_so.F:746:15: 738 | if (.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1,nefc)) | 2 ...... 746 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dft_zora_rhos_so.F:851:49: 849 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 850 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 851 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dft_zora_rhos_so.F:431:19: 431 | integer i_cbq | ^ Warning: 'i_cbq' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_rhos_so.F:432:19: 432 | integer i_qbq | ^ Warning: 'i_qbq' may be used uninitialized [-Wmaybe-uninitialized] Compiling gridNuclearPotential.F... Compiling gridHartreePotential.F... Compiling gridQpqPotential.F... Compiling grid_moments.F... Compiling zora_getv_EFGZ4_SR.F... Compiling calc_zora_EFGZ4_SR.F... Compiling zora_getv_EFGZ4_SO.F... Compiling calc_zora_EFGZ4_SO.F... Compiling dft_zora_NMR.F... dft_zora_NMR.F:1086:37: 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 ...... 1086 | $ giaoatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_NMR.F:66:32: 66 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling zora_getv_NMRCS_SR.F... Compiling calc_zora_NMRCS_SR.F... Compiling dft_zora_EPR.F... dft_zora_EPR.F:47:32: 47 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 424 | status=rtdb_get(rtdb,'prop:gshiftfile',mt_int,1,gshiftfile) ! for NLMO analysis | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_EPR.F:376:72: 376 | factor=(-0.25d0)*coeffpol*ppt | ^ Warning: 'coeffpol' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_EPR.F:339:39: 339 | double precision toac(2),coeffpol,toscale | ^ note: 'coeffpol' was declared here Compiling dft_zora_EPR-NMR_tools.F... dft_zora_EPR-NMR_tools.F:1572:37: 294 | call ga_get(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1572 | call ga_get(g_z1,1,n1,m1,m1,dcpl_mb(k_z),n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). dft_zora_EPR-NMR_tools.F:1777:48: 530 | call ga_put(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) | 2 ...... 1777 | call ga_put(g_z1,idat,idat,ivec,ivec,val_cmplx,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling zora_getv_EPR.F... Compiling calc_zora_EPR.F... Compiling dft_zora_Hyperfine.F... dft_zora_Hyperfine.F:1515:38: 1504 | $ 1,hfineatoms)) | 2 ...... 1515 | $ hfineatoms,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dft_zora_Hyperfine.F:48:32: 48 | & mt_log,1,do_prntNMRCS)) ! FA | 1 ...... 1504 | $ 1,hfineatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). dft_zora_Hyperfine.F:814:72: 814 | & nexc) | ^ Warning: 'k_zetanuc' may be used uninitialized [-Wmaybe-uninitialized] dft_zora_Hyperfine.F:782:33: 782 | integer l_zetanuc,k_zetanuc | ^ note: 'k_zetanuc' declared here Compiling zora_getv_HFine.F... Compiling calc_zora_HFine.F... Compiling zora_getv_sf.F... zora_getv_sf.F:293:72: 293 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here zora_getv_sf.F:294:72: 294 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_sf.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here Compiling zora_getv_so.F... zora_getv_so.F:282:72: 282 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[0]' was declared here zora_getv_so.F:283:72: 283 | if(ipol.eq.2) g_dens(2)=g_dens0(2) | ^ Warning: 'g_dens0[1]' may be used uninitialized [-Wmaybe-uninitialized] zora_getv_so.F:62:37: 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here Compiling calc_EFG.F... Compiling calc_zora_sf.F... Compiling calc_zora_so.F... Compiling calc_zora_facs.F... Compiling get_ints_zora.F... Compiling zora_recalc.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/zora' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/zora' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a dft_zora_utils.o dft_zora_utils_so.o dft_zora_rhos.o dft_zora_rhos_so.o gridNuclearPotential.o gridHartreePotential.o gridQpqPotential.o grid_moments.o zora_getv_EFGZ4_SR.o calc_zora_EFGZ4_SR.o zora_getv_EFGZ4_SO.o calc_zora_EFGZ4_SO.o dft_zora_NMR.o zora_getv_NMRCS_SR.o calc_zora_NMRCS_SR.o dft_zora_EPR.o dft_zora_EPR-NMR_tools.o zora_getv_EPR.o calc_zora_EPR.o dft_zora_Hyperfine.o zora_getv_HFine.o calc_zora_HFine.o zora_getv_sf.o zora_getv_so.o calc_EFG.o calc_zora_sf.o calc_zora_so.o calc_zora_facs.o get_ints_zora.o zora_recalc.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/zora' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/zora' Making all in spec gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/spec' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/spec' Compiling dft_vspec.F... dft_vspec.F:108:57: 75 | if (.not. rtdb_get(rtdb,'dft:write_vspec',mt_log,1,write_vspec)) | 2 ...... 108 | if (.not. rtdb_get(rtdb,'dft:nexcite_win',mt_int,1,nexcite_win)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dft_vspec_so.F... Compiling dft_xps.F... Compiling dft_polfromsos.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/spec' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/spec' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a dft_vspec.o dft_vspec_so.o dft_xps.o dft_polfromsos.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/spec' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/spec' Making all in rt_tddft gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft' Compiling rt_tddft.F... rt_tddft.F:60:9: 56 | & cam_exch)) cam_exch=.false. | 2 ...... 60 | & cam_omega)) cam_omega=0.d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Making all in matutils gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/matutils' Compiling convert_d2z.F... Compiling convert_z2d.F... Compiling pack_buffer2ga.F... pack_buffer2ga.F:138:39: 60 | call ga_put (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 138 | call ga_put (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pack_ga2buffer.F... pack_ga2buffer.F:133:39: 57 | call ga_get (g_a, 1, n, i, i, dbl_mb(itmp), n) | 2 ...... 133 | call ga_get (g_a, 1, n, i, i, dcpl_mb(itmp), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling matutils.F... matutils.F:458:72: 458 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:489:42: 473 | call ga_put (g_a, i,i,i,i, one, 1) | 2 ...... 489 | call ga_put (g_a, i,i,i,i, zone, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). matutils.F:499:72: 499 | call errquit (pname//"unsupported data type") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:399:72: 399 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:339:72: 339 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:196:72: 196 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:542:72: 542 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) matutils.F:920:72: 920 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_14' at (1) Compiling dmat_io.F... dmat_io.F:52:72: 52 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dmat_io.F:154:72: 154 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_diag.F... zmat_diag.F:591:72: 591 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:451:72: 451 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:66:72: 66 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_diag.F:701:72: 701 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_inv.F... zmat_inv.F:240:72: 240 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_inv.F:62:72: 62 | $ call errquit (pname//"size of ainv must match size of a") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_checksum.F... zmat_checksum.F:44:72: 44 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_spectral_range.F... zmat_spectral_range.F:55:72: 55 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_max_abs_elem.F... zmat_max_abs_elem.F:47:72: 47 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling zmat_compare.F... Compiling elem_compare.F... Compiling calc_array_partitioning.F... gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/matutils' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a convert_d2z.o convert_z2d.o pack_buffer2ga.o pack_ga2buffer.o matutils.o dmat_io.o zmat_diag.o zmat_inv.o zmat_checksum.o zmat_spectral_range.o zmat_max_abs_elem.o zmat_compare.o elem_compare.o calc_array_partitioning.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/matutils' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/matutils' Making all in rtutils gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/rtutils' Compiling rt_tddft_debug.F... Compiling rt_tddft_header.F... Compiling rt_tddft_output.F... rt_tddft_output.F:427:72: 427 | call rt_tddft_print_val (params, tt, params%Enuc, "Enuc") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:428:72: 428 | call rt_tddft_print_val (params, tt, energies%core, "Ecore") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:429:72: 429 | call rt_tddft_print_val (params, tt, energies%coul, "Ecoul") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:430:72: 430 | call rt_tddft_print_val (params, tt, energies%xc(1), "Exc(1)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:431:72: 431 | call rt_tddft_print_val (params, tt, energies%xc(2), "Exc(2)") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:432:72: 432 | call rt_tddft_print_val (params, tt, energies%tot, "Etot") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:434:72: 434 | $ energies%tot - energies%gs, "Eadded") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:467:72: 467 | call rt_tddft_print_msg (params, tt, "No applied E-field") | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:477:72: 477 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_output.F:483:72: 483 | $ eval, trim(outstr)) | 1 Warning: Type mismatch in argument 'vec' at (1); passed TYPE(rt_vector_t) to TYPE(rt_vector_t) rt_tddft_output.F:650:72: 650 | $ charge_tot, trim(outstr)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_calc.F... rt_tddft_calc.F:363:31: 171 | call rt_tddft_geom_mask (params, params%g_dip%x, ig, g_dip_maskd) | 2 ...... 363 | call rt_tddft_geom_mask (params, g_dscr1, ig, g_dscr2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_movecs_gs.F... Compiling rt_tddft_movecs_import.F... rt_tddft_movecs_import.F:330:72: 330 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:363:72: 363 | $ mo_nsets, mo_ns_mo) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:386:72: 386 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:576:72: 576 | call rt_tddft_movecs_fname (params, rt_movecs_fname) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:642:72: 642 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_movecs_import.F:661:72: 661 | $ dbl_mb(iocc), dbl_mb(ievals)) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_moocc.F... Compiling rt_tddft_atpoint.F... Compiling rt_tddft_snapshot.F... rt_tddft_snapshot.F:205:72: 205 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:276:20: 276 | itreference = rt_tddft_find_itreference (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:287:72: 287 | $ params%viz_treference, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:314:13: 314 | if (rt_tddft_at_snap (params, tt)) then | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:328:72: 328 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_snapshot.F:332:72: 332 | $ fname_tail_cube) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_geom_mask.F... rt_tddft_geom_mask.F:46:72: 46 | $ call errquit (pname//"g_full must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:61:72: 61 | $ call errquit (pname//"g_maskd must be dbl or dcpl",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:69:72: 69 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:73:72: 73 | $ 0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:81:72: 81 | $ call errquit (pname//"bad ig: ", ig, 0) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:99:72: 99 | $ call errquit (pname//"failed to create fullre",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:103:72: 103 | $ call errquit (pname//"failed to create fullim",0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:116:72: 116 | $ call errquit (pname//"failed to destroy fullre", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:119:72: 119 | $ call errquit (pname//"failed to destroy fullim", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) rt_tddft_geom_mask.F:122:72: 122 | call errquit (pname//"bad data type for g_full",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling rt_tddft_estimate_rem.F... Compiling rt_tddft_vec_quad.F... Compiling rt_tddft_excite.F... rt_tddft_excite.F:376:47: 376 | val = val * rt_tddft_hann_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:378:51: 378 | val = val * rt_tddft_gaussian_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:380:51: 380 | val = val * rt_tddft_sin2ramp_window (field, tt) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_excite.F:80:72: 80 | call rt_tddft_update_fields (params, tt) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_excite.F:94:33: 94 | call rt_tddft_vec_zero (params%geom(igeom)%vec(1)) !alpha | 1 ...... 412 | call rt_tddft_vec_zero (fvec) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_vector_t)/TYPE(rt_vector_t)). Compiling rt_tddft_checkpoint.F... Compiling rt_tddft_zora_scale.F... Compiling rt_tddft_project.F... rt_tddft_project.F:221:72: 221 | call rt_tddft_project (params, "F", g_za, g_zb, g_zaproj, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:223:72: 223 | $ g_zaproj, g_zb, g_zaback, lherm) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:368:72: 368 | $ g_za, g_movecs_gs, g_zaproj) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) rt_tddft_project.F:370:72: 370 | $ g_zaproj, g_movecs_gs, g_zaback) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_zdens_tot_movecs.F... Compiling rt_tddft_restart.F... rt_tddft_restart.F:240:29: 237 | call ga_brdcst(100001, it_in, msglen, 0) | 2 ...... 240 | call ga_brdcst(100002, tt_in, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_restart.F:284:31: 101 | call rt_tddft_print_msg (params, tt, "Saved restart file") | 2 ...... 284 | call rt_tddft_print_msg (params, tt, "Loaded restart file") | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (TYPE(rt_params_t)/TYPE(rt_params_t)). Compiling rt_tddft_mocap.F... Compiling rt_tddft_calc_dip_contribs.F... rt_tddft_calc_dip_contribs.F:207:25: 183 | $ (1d0,0d0), params%g_zX, g_zCprime, (0d0,0d0), g_zCao) | 2 ...... 207 | $ g_zPgsint(1), 0d0, g_zPgsmo(1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling rt_tddft_spatialcap.F... Compiling rt_tddft_spatial_potential.F... rt_tddft_spatial_potential.F:111:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 111 | $ mt_int, 3, nq)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). rt_tddft_spatial_potential.F:115:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 115 | $ mt_dbl, 3, qmin_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_spatial_potential.F:119:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// | 2 ...... 119 | $ mt_dbl, 3, qmax_au)) call errquit (pname// | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rt_tddft_complex_evals.F... rt_tddft_complex_evals.F:246:29: 242 | call ga_brdcst(100001, diff, msglen, 0) | 2 ...... 246 | call ga_brdcst(100002, imax, msglen, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/rtutils' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a rt_tddft_debug.o rt_tddft_header.o rt_tddft_output.o rt_tddft_calc.o rt_tddft_movecs_gs.o rt_tddft_movecs_import.o rt_tddft_moocc.o rt_tddft_atpoint.o rt_tddft_snapshot.o rt_tddft_geom_mask.o rt_tddft_estimate_rem.o rt_tddft_vec_quad.o rt_tddft_excite.o rt_tddft_checkpoint.o rt_tddft_zora_scale.o rt_tddft_project.o rt_tddft_zdens_tot_movecs.o rt_tddft_restart.o rt_tddft_mocap.o rt_tddft_calc_dip_contribs.o rt_tddft_spatialcap.o rt_tddft_spatial_potential.o rt_tddft_complex_evals.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/rtutils' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/rtutils' Making all in input gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/input' Compiling rt_tddft_input_put_defaults.F... rt_tddft_input_put_defaults.F:110:20: 63 | $ mt_log,1,.true.)) | 2 ...... 110 | $ mt_dbl,1,tol_zero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling rt_tddft_input_field.F... rt_tddft_input_field.F:218:72: 218 | call rt_tddft_field_rtdb_get (rtdb, i, prev_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) rt_tddft_input_field.F:467:72: 467 | call rt_tddft_field_rtdb_put (rtdb, nfields, this_field) | 1 Warning: Type mismatch in argument 'field' at (1); passed TYPE(rt_field_t) to TYPE(rt_field_t) Compiling rt_tddft_input_print.F... Compiling rt_tddft_input_excite.F... rt_tddft_input_excite.F:223:72: 223 | call rt_tddft_excite_rtdb_put (rtdb, nexcites, excite) | 1 Warning: Type mismatch in argument 'excite' at (1); passed TYPE(rt_excite_t) to TYPE(rt_excite_t) Compiling rt_tddft_input_tolerances.F... Compiling rt_tddft_input_visualization.F... rt_tddft_input_visualization.F:131:59: 119 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_tstart',mt_dbl,1,tstart)) | 2 ...... 131 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_subgs',mt_log,1,lsubgs)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_input_mocap.F... rt_tddft_input_mocap.F:120:61: 103 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_maxval',mt_dbl,1,maxval)) | 2 ...... 120 | if (.not.rtdb_put(rtdb,'rt_tddft:mocap_print',mt_log,1,lprint)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_input_spatialcap.F... rt_tddft_input_spatialcap.F:227:60: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 227 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_active',mt_log,1,lactive)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). rt_tddft_input_spatialcap.F:235:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 235 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmin',mt_dbl,3,qmin)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rt_tddft_input_spatialcap.F:239:58: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) | 2 ...... 239 | if (.not.rtdb_put(rtdb,'rt_tddft:cap_qmax',mt_dbl,3,qmax)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rt_tddft_input.F... rt_tddft_input.F:136:22: 65 | $ mt_int,1,nfields)) | 2 ...... 136 | $ 1,use_dmat)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). rt_tddft_input.F:373:72: 373 | call errquit (pname//"invalid propagator: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:400:72: 400 | call errquit (pname//"BCH exp disabled"//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) rt_tddft_input.F:404:72: 404 | $ "invalid exponentiation method: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/input' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a rt_tddft_input_put_defaults.o rt_tddft_input_field.o rt_tddft_input_print.o rt_tddft_input_excite.o rt_tddft_input_tolerances.o rt_tddft_input_visualization.o rt_tddft_input_mocap.o rt_tddft_input_spatialcap.o rt_tddft_input.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/input' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/input' Making all in init gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/init' Compiling rt_tddft_init_coulcdfit.F... rt_tddft_init_coulcdfit.F:217:72: 217 | params%iwhat_max = iwhat_max | ^ Warning: 'iwhat_max' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:39:23: 39 | integer iwhat_max | ^ note: 'iwhat_max' was declared here rt_tddft_init_coulcdfit.F:218:72: 218 | params%n_semi_bufs = n_semi_bufs | ^ Warning: 'n_semi_bufs' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:38:43: 38 | integer n3c_int, n3c_dbl, n_semi_bufs | ^ note: 'n_semi_bufs' was declared here rt_tddft_init_coulcdfit.F:219:72: 219 | params%fd = fd | ^ Warning: 'fd' is used uninitialized [-Wuninitialized] rt_tddft_init_coulcdfit.F:44:16: 44 | integer fd | ^ note: 'fd' was declared here Compiling rt_tddft_init_zora.F... Compiling rt_tddft_init_dip_quad_ints.F... Compiling rt_tddft_init_fock2e.F... Compiling rt_tddft_init_geoms.F... Compiling rt_tddft_init_rtdb.F... rt_tddft_init_rtdb.F:38:22: 26 | $ mt_dbl, 1, params%dt)) call errquit (pname// | 2 ...... 38 | $ mt_int, 1, params%nchecks)) call errquit (pname// | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rt_tddft_init_check_params.F... rt_tddft_init_check_params.F:41:72: 41 | call rt_tddft_init_check_fields (params) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) Compiling rt_tddft_init_overlap_canorg.F... Compiling rt_tddft_init_common.F... rt_tddft_init_common.F:79:22: 66 | $ mt_dbl, 1, local_d_conv)) then | 2 ...... 79 | $ mt_log, 1, dft_converged)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling rt_tddft_clean.F... Compiling task_rt_tddft.F... gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/init' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a rt_tddft_init_coulcdfit.o rt_tddft_init_zora.o rt_tddft_init_dip_quad_ints.o rt_tddft_init_fock2e.o rt_tddft_init_geoms.o rt_tddft_init_rtdb.o rt_tddft_init_check_params.o rt_tddft_init_overlap_canorg.o rt_tddft_init_common.o rt_tddft_clean.o task_rt_tddft.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/init' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/init' Making all in canorg gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/canorg' Compiling canorg_check.F... Compiling canorg_init.F... Compiling canorg_clean.F... Compiling canorg_trans.F... canorg_trans.F:108:72: 108 | call canorg_trans_zfock_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:110:72: 110 | call canorg_trans_zdens_ao2mo (params, g_zs_nm, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:127:72: 127 | call canorg_trans_zfock_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) canorg_trans.F:129:72: 129 | call canorg_trans_zdens_mo2ao (params, g_zs_mn, g_a, g_b) | 1 Warning: Type mismatch in argument 'params' at (1); passed TYPE(rt_params_t) to TYPE(rt_params_t) gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/canorg' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a canorg_check.o canorg_init.o canorg_clean.o canorg_trans.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/canorg' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/canorg' Making all in propagators gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/propagators' Compiling exp_diag.F... exp_diag.F:66:72: 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling exp_pseries.F... exp_pseries.F:81:72: 81 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) Compiling prop_euler.F... Compiling prop_magnus_exp_bch.F... Compiling prop_magnus_exp_bch_scaled.F... Compiling prop_magnus_ord2_interpol.F... Compiling prop_magnus_ord2_step.F... Compiling prop_rk4.F... gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/propagators' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a exp_diag.o exp_pseries.o prop_euler.o prop_magnus_exp_bch.o prop_magnus_exp_bch_scaled.o prop_magnus_ord2_interpol.o prop_magnus_ord2_step.o prop_rk4.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/propagators' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/propagators' Making all in closedshell gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/closedshell' Compiling zfock_cs_build.F... Compiling zfock_cs_core.F... Compiling zfock_cs_core_scalarzora.F... Compiling zfock_cs_coulcdfit.F... Compiling zfock_cs_coul_exchre.F... Compiling zfock_cs_coul.F... Compiling zfock_cs_dftxc.F... Compiling zfock_cs_exch.F... Compiling zfock_cs_exchim.F... Compiling rt_tddft_cs_init.F... Compiling rt_tddft_cs_confirm.F... Compiling rt_tddft_cs_checkpoint.F... Compiling rt_tddft_cs_restart.F... rt_tddft_cs_restart.F:54:67: 50 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 54 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_cs_restart.F:164:67: 161 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 164 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling rt_tddft_cs_prop.F... Compiling rt_tddft_cs_tdfock.F... gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/closedshell' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a zfock_cs_build.o zfock_cs_core.o zfock_cs_core_scalarzora.o zfock_cs_coulcdfit.o zfock_cs_coul_exchre.o zfock_cs_coul.o zfock_cs_dftxc.o zfock_cs_exch.o zfock_cs_exchim.o rt_tddft_cs_init.o rt_tddft_cs_confirm.o rt_tddft_cs_checkpoint.o rt_tddft_cs_restart.o rt_tddft_cs_prop.o rt_tddft_cs_tdfock.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/closedshell' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/closedshell' Making all in openshell gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/openshell' Compiling zfock_os_build.F... Compiling zfock_os_core.F... Compiling zfock_os_core_scalarzora.F... Compiling zfock_os_coul.F... Compiling zfock_os_coulcdfit.F... Compiling zfock_os_exch.F... Compiling zfock_os_dftxc.F... Compiling rt_tddft_os_init.F... Compiling rt_tddft_os_confirm.F... Compiling rt_tddft_os_prop.F... Compiling rt_tddft_os_tdfock.F... Compiling rt_tddft_os_checkpoint.F... Compiling rt_tddft_os_print.F... Compiling rt_tddft_os_restart.F... rt_tddft_os_restart.F:56:67: 52 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_it', mt_int, 1, it)) | 2 ...... 56 | if (.not.rtdb_put(params%rtdb,'rt_tddft:rest_tt', mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rt_tddft_os_restart.F:191:67: 188 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_it",mt_int, 1, it)) | 2 ...... 191 | if (.not.rtdb_get (params%rtdb,"rt_tddft:rest_tt",mt_dbl, 1, tt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/openshell' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a zfock_os_build.o zfock_os_core.o zfock_os_core_scalarzora.o zfock_os_coul.o zfock_os_coulcdfit.o zfock_os_exch.o zfock_os_dftxc.o rt_tddft_os_init.o rt_tddft_os_confirm.o rt_tddft_os_prop.o rt_tddft_os_tdfock.o rt_tddft_os_checkpoint.o rt_tddft_os_print.o rt_tddft_os_restart.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/openshell' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft/openshell' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a rt_tddft.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/rt_tddft' Making all in libxc gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/libxc' Compiling nwchem_libxc_read.F... Compiling nwchem_libxc_util.F... nwchem_libxc_util.F:173:10: 149 | $ libxc_nfuncs)) | 2 ...... 173 | $ libxc_facts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwchem_libxc_util.F:215:10: 191 | $ libxc_nfuncs)) | 2 ...... 215 | $ libxc_facts)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/libxc' Compiling nwchem_libxc_compute.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/libxc' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/libxc' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a nwchem_libxc_read.o nwchem_libxc_util.o nwchem_libxc_compute.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/libxc' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/libxc' Making all in x2c gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/x2c' Compiling calc_x2c_w_scalar.F... Compiling x2c_getw_scalar.F... Compiling x2c_getw_efg_scalar.F... Compiling x2c_getw_moment_scalar.F... Compiling calc_x2c_1e_scalar_ga.F... calc_x2c_1e_scalar_ga.F:688:13: 688 | info = ga_cholesky('L', g_m, -1) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling calc_x2c_efg_scalar.F... calc_x2c_efg_scalar.F:480:23: 176 | call ga_zero(g_efgint) | 2 ...... 480 | call ga_zero(g_P) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:510:12: 392 | & g_temp,clo,chi) | 2 ...... 510 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:522:12: 392 | & g_temp,clo,chi) | 2 ...... 522 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:546:13: 391 | & g_efg, blo,bhi, | 2 ...... 546 | & g_P,blo,bhi, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) calc_x2c_efg_scalar.F:576:29: 221 | if (.not. ga_destroy(g_temp)) call errquit | 2 ...... 576 | if (.not. ga_destroy(g_P)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling calc_x2c_moment_scalar.F... Compiling calc_x2c_wefg_scalar.F... Compiling calc_x2c_wmoment_scalar.F... Compiling calc_x2c_hfc_scalar.F... calc_x2c_hfc_scalar.F:227:72: 227 | & pname//': g_u2c inconsistency', UNKNOWN_ERR) | 1 Warning: Missing actual argument for argument '_formal_13' at (1) Compiling write_x2c_pc_dip.F... Compiling read_x2c_pc_dip.F... Compiling x2c_utils.F... Compiling x2c_scf.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/x2c' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a calc_x2c_w_scalar.o x2c_getw_scalar.o x2c_getw_efg_scalar.o x2c_getw_moment_scalar.o calc_x2c_1e_scalar_ga.o calc_x2c_efg_scalar.o calc_x2c_moment_scalar.o calc_x2c_wefg_scalar.o calc_x2c_wmoment_scalar.o calc_x2c_hfc_scalar.o write_x2c_pc_dip.o read_x2c_pc_dip.o x2c_utils.o x2c_scf.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/x2c' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft/x2c' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a nwdft.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwdft.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwdft' Making libraries in rimp2 gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rimp2' Compiling rimp2_v_e2.F... rimp2_v_e2.F:164:56: 161 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 164 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mk_1d_shdist.F... Compiling ga_by_shells.F... Compiling xf3ci_step12.F... Compiling xf3ci_step3.F... Compiling xform_3cints.F... Compiling occ_ranges.F... Compiling rimp2_xf.F... Compiling close_3ci.F... Compiling open_3ci.F... Compiling put_3cints.F... Compiling get_3cints.F... Compiling rimp2.F... rimp2.F:130:54: 126 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 130 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling dgecop.F... Compiling lnblnk.f... Compiling max_v_diag.F... Compiling rimp2_parm.F... rimp2_parm.F:31:20: 23 | If ( .NOT. RTDB_Get( RTDB, 'mp2:aotol2e', MT_Dbl, 1, Thresh) ) | 2 ...... 31 | $ MT_Int, 1, MxTBatch) ) MxTBatch = -1 ! Determined by memory space | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rimp2_timers.F... Compiling pr_corr_map.F... Compiling prog_report.F... Compiling xf3ci_mem12.F... Compiling iamax.f... Compiling rimp2_e_mem.F... rimp2_e_mem.F:124:12: 59 | $ 'RIMP2_E_Mem: Unable to allocate minimal GA', 0, GA_ERR) | 2 ...... 124 | $ Mem_Avail, MA_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rimp2' Compiling rimp2_denom.F... Compiling sum_pairs.F... Compiling xf3ci_s12a.F... Compiling xf3ci_s12b.F... Compiling eval_3ci.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rimp2' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rimp2' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/librimp2.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/librimp2.a rimp2_v_e2.o mk_1d_shdist.o ga_by_shells.o xf3ci_step12.o xf3ci_step3.o xform_3cints.o occ_ranges.o rimp2_xf.o close_3ci.o open_3ci.o put_3cints.o get_3cints.o rimp2.o dgecop.o lnblnk.o max_v_diag.o rimp2_parm.o rimp2_timers.o pr_corr_map.o prog_report.o xf3ci_mem12.o iamax.o rimp2_e_mem.o rimp2_denom.o sum_pairs.o xf3ci_s12a.o xf3ci_s12b.o eval_3ci.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/librimp2.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/librimp2.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/librimp2.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rimp2' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/rimp2' Making libraries in stepper gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/stepper' Compiling stpr_cheker.F... Compiling stpr_chkhess.F... Compiling stpr_clnstp.F... Compiling stpr_cneed.f... Compiling stpr_cross.f... Compiling stpr_driver.F... Compiling stpr_fndmde.F... Compiling stpr_formup.F... Compiling stpr_gmass.f... Compiling stpr_hesupd.F... Compiling stpr_hmass.f... Compiling stpr_inihes.F... Compiling stpr_face.F... stpr_face.F:13:61: 13 | if (.not.rtdb_get(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 1 ...... 484 | if (.not.rtdb_get(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). stpr_face.F:454:62: 437 | if (.not.rtdb_put(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) | 2 ...... 454 | if (.not.rtdb_put(rtdb,'stepper:setmass:dbl',MT_DBL,nat,xmass)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling stpr_locate.f... Compiling stpr_matout.f... Compiling stpr_mgeom.f... Compiling stpr_mkstep.F... Compiling stpr_mktri.f... Compiling stpr_output.F... Compiling stpr_place.F... Compiling stpr_pmat.f... Compiling stpr_prntpd.f... Compiling stpr_projec.f... Compiling stpr_putbck.f... Compiling stpr_readsq.F... Compiling stpr_save.F... Compiling stpr_setmass.f... Compiling stpr_stepcor.F... Compiling stpr_stepper.f... Compiling stpr_sumstc.F... Compiling stpr_tprntd.f... Compiling stpr_uprcase.f... Compiling stpr_wlkchk.F... Compiling stpr_wrtsq.F... Compiling stpr_walk.F... stpr_walk.F:176:14: 95 | if (.not. rtdb_get(rtdb, 'task:energy', MT_DBL, 1, energy)) | 2 ...... 176 | $ okeepgeom)) okeepgeom = .false. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling stpr_datestp.f... Compiling distang.F... Compiling stpr_gh_at.F... stpr_gh_at.F:244:72: 244 | & ('stpr_gen_hess_at: reference point energy+grad failed',7) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) stpr_gh_at.F:371:26: 86 | & numerical_single)) then | 2 ...... 371 | & rank_hess,dbl_mb(k_gradm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling stpr_gen_aux.F... Compiling stpr_filenames.F... Compiling stepper_inp.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/stepper' Compiling stpr_partit.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/stepper' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/stepper' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libstepper.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libstepper.a stpr_cheker.o stpr_chkhess.o stpr_clnstp.o stpr_cneed.o stpr_cross.o stpr_driver.o stpr_fndmde.o stpr_formup.o stpr_gmass.o stpr_hesupd.o stpr_hmass.o stpr_inihes.o stpr_face.o stpr_locate.o stpr_matout.o stpr_mgeom.o stpr_mkstep.o stpr_mktri.o stpr_output.o stpr_place.o stpr_pmat.o stpr_prntpd.o stpr_projec.o stpr_putbck.o stpr_readsq.o stpr_save.o stpr_setmass.o stpr_stepcor.o stpr_stepper.o stpr_sumstc.o stpr_tprntd.o stpr_uprcase.o stpr_wlkchk.o stpr_wrtsq.o stpr_walk.o stpr_datestp.o distang.o stpr_gh_at.o stpr_gen_aux.o stpr_filenames.o stepper_inp.o stpr_partit.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libstepper.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libstepper.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libstepper.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/stepper' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/stepper' Making libraries in driver gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/driver' Compiling opt_drv.F... opt_drv.F:3480:23: 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 3480 | call ga_brdcst(2,alpha, ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:1968:23: 1968 | call ga_brdcst(2,alpha, ma_sizeof(mt_dbl,1,mt_byte),0) | 1 ...... 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) opt_drv.F:2850:50: 2497 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 2850 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). opt_drv.F:3714:11: 2497 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, aenergy)) | 2 ...... 3714 | $ gx)) call errquit('driver: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) opt_drv.F:956:26: 956 | 20 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3479 | call ga_brdcst(1,ds, ma_sizeof(mt_dbl,nvar,mt_byte),0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling oniom.F... oniom.F:186:11: 88 | $ usesymmol)) usesymmol=.false. | 2 ...... 186 | $ model_nat)) call errquit('oniom: model_nat?',0, RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). oniom.F:598:54: 120 | $ int_mb(k_actlist))) call errquit | 2 ...... 598 | if (.not. rtdb_put(rtdb,'oniom:energy',mt_dbl,1,energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling lbfgs.F... Compiling lbfgs-b.F... lbfgs-b.F:4127:50: 4125 | do 30 j = 2, n | 2 4126 | temp = -b(j-1) 4127 | call yaxpy(n-j+1,temp,t(j,j-1),1,b(j),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:17: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:24: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4128:31: 4125 | do 30 j = 2, n | 2 ...... 4128 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:17: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:24: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4166:42: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:17: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:24: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) lbfgs-b.F:4167:31: 4165 | do 120 j = 2, n | 2 4166 | b(j) = b(j) - ydot(j-1,t(1,j),1,b(1),1) 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling lbfgs-b_driver.F... lbfgs-b_driver.F:126:58: 110 | if (.not. rtdb_get(irtdb,'onlystress',mt_log,1,onlystress)) | 2 ...... 126 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). lbfgs-b_driver.F:578:72: 578 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_12' at (1) Compiling lbfgs_driver.F... lbfgs_driver.F:86:57: 71 | if(.not.rtdb_get(irtdb,'lbfgs:maxiter',mt_int,1,maxiter)) | 2 ...... 86 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling lbfgs_utils.F... Compiling socket_driver.F... socket_driver.F:150:42: 121 | call util_talker_read(sock,msg,12) | 2 ...... 150 | call util_talker_read(sock,unita,n1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). socket_driver.F:190:43: 143 | call util_talker_write(sock,statebuffer,12) | 2 ...... 190 | call util_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/driver' Compiling driver_input.F... driver_input.F:60:60: 39 | if (.not. rtdb_put(rtdb,'opt:driver',mt_log,1,.true.)) | 2 ...... 60 | if (.not. rtdb_put(rtdb,'driver:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/driver' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/driver' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdriver.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdriver.a opt_drv.o oniom.o lbfgs.o lbfgs-b.o lbfgs-b_driver.o lbfgs_driver.o lbfgs_utils.o socket_driver.o driver_input.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdriver.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdriver.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdriver.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/driver' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/driver' Making libraries in optim gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim' Making all in deloc gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/deloc' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/deloc' Compiling deloc_driver.F... deloc_driver.F:140:57: 105 | if(.not.rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 2 ...... 140 | if (.not. rtdb_get(irtdb,'task:energy', mt_dbl, 1, energy)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling deloc.F... Compiling deloc_utils.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/deloc' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/deloc' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a deloc_driver.o deloc.o deloc_utils.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/deloc' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/deloc' Making all in mepgs gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/mepgs' Compiling mepgs_drv.F... mepgs_drv.F:2728:11: 1092 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 ...... 2728 | $ gx)) call errquit('gsopt: could not get gradient',0,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mepgs_drv.F:2334:50: 1092 | if (.not. rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) | 2 ...... 2334 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mepgs_drv.F:3007:23: 3006 | call ga_brdcst(1,ds,8*nvar,0) | 2 3007 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mepgs_drv.F:1702:26: 1702 | 40 call ga_brdcst(323, old_hessian, ma_sizeof(mt_log,1,mt_byte), 0) | 1 ...... 3006 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mepgs_drv.F:453:58: 453 | $ call errquit('mepgs_energy_step: coordinates?', string, | 1 ...... 1019 | & call errquit('hnd_opt: geom_create?', 911, GEOM_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(*)/INTEGER(8)). mepgs_drv.F:3287:58: 3219 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 2 ...... 3287 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/mepgs' Compiling mepgs_input.F... mepgs_input.F:57:58: 38 | if (.not. rtdb_put(rtdb,'mepgs:evib',mt_dbl,1,evib)) | 2 ...... 57 | if (.not. rtdb_put(rtdb,'mepgs:nircopt',mt_int,1,nircopt)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/mepgs' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/mepgs' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a mepgs_drv.o mepgs_input.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/mepgs' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/mepgs' Making all in tropt gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/tropt' Compiling tropt_drv.F... tropt_drv.F:2288:11: 1868 | if (.not.rtdb_get(rtdb,'task:QMMM',mt_log,1,task_qmmm)) | 2 ...... 2288 | $ gx)) call errquit('tropt: could not get gradient',0,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). tropt_drv.F:2812:23: 2811 | call ga_brdcst(1,ds,8*nvar,0) | 2 2812 | call ga_brdcst(2,alpha,8,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tropt_drv.F:1757:26: 1757 | call ga_brdcst(1001,tropt_converged,ma_sizeof(mt_log,1,mt_byte),0) | 1 ...... 2811 | call ga_brdcst(1,ds,8*nvar,0) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/tropt' Compiling tropt_input.F... tropt_input.F:48:59: 21 | if (.not. rtdb_put(rtdb,'opt:tropt',mt_log,1,.true.)) | 2 ...... 48 | if (.not. rtdb_put(rtdb,'tropt:gmax_tol',mt_dbl,1,gmax_tol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/tropt' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/tropt' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a tropt_drv.o tropt_input.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/tropt' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/tropt' Making all in neb gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/neb' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/neb' Compiling neb_input.F... neb_input.F:82:55: 57 | if (.not. rtdb_put(rtdb,'neb:algorithm',mt_int,1,nbeads)) | 2 ...... 82 | if (.not. rtdb_put(rtdb,'neb:stepsize',mt_dbl,1,timestep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling neb_drv.F... neb_drv.F:96:50: 81 | if (.not. rtdb_get(rtdb,'neb:gmax',mt_dbl,1,nebgmax)) | 2 ...... 96 | if (.not.rtdb_get(rtdb,'neb:steps',mt_int,1,nebsteps)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). neb_drv.F:986:54: 781 | if (.not.rtdb_put(rtdb,'neb:print_count',mt_int,1,print_count)) | 2 ...... 986 | if (.not.rtdb_put(rtdb,'bead_list:new',mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling neb_utils.F... neb_utils.F:863:54: 809 | if (.not. rtdb_get(rtdb,'neb:pathguess',mt_int,1,pathguess)) | 2 ...... 863 | if (.not.rtdb_get(rtdb,'neb:hasmiddle',mt_log,1,hasmiddle)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling bead_list.F... bead_list.F:1449:59: 301 | value = rtdb_get(bead_rtdb,rtdb_name,mt_int,1,size) | 2 ...... 1449 | if (.not.rtdb_get(bead_rtdb,'includestress',mt_log,1,ostress)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). bead_list.F:472:54: 467 | if(.not.rtdb_put(bead_rtdb,"scf:converged",mt_log,1,.false.)) | 2 ...... 472 | if(.not.rtdb_put(bead_rtdb,"neb:ibead",mt_int,1,i)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/neb' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/neb' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a neb_input.o neb_drv.o neb_utils.o bead_list.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/neb' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/neb' Making all in string gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/string' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/string' Compiling string.F... string.F:479:58: 475 | if (.not. rtdb_get(rtdb, 'string:linopt', mt_log,1,linopt)) | 2 ...... 479 | if (.not. rtdb_get(rtdb,'string:pathguess',mt_int,1,pathguess)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). string.F:1788:33: 598 | call ycopy(ng,coords,1,coords_old,1) | 2 ...... 1788 | call ycopy(3*natoms*nbeads,0.0d0,0,dVdx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) string.F:1821:59: 845 | > mt_int,1,print_count)) | 2 ...... 1821 | if(.not.rtdb_put(rtdb,"scf:converged",mt_log,1,.false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling string_input.F... string_input.F:70:14: 46 | if (.not. rtdb_put(rtdb,'string:tol',mt_dbl,1,tol)) | 2 ...... 70 | $ nbeads)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/string' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/string' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a string.o string_input.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/liboptim.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/string' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim/string' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/optim' Making libraries in cphf gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cphf' Compiling cphf.F... Compiling cphf_poliz.F... cphf_poliz.F:133:52: 119 | if(.not.rtdb_get(rtdb,'scf:nalpha',mt_int,1,noa)) | 2 ...... 133 | if (.not. rtdb_get(rtdb,'dft:noc',mt_int,2,noc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cphf_solve.F... cphf_solve.F:156:11: 152 | $ lshift)) lshift=0.0d0 | 2 ...... 156 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve.F:198:61: 195 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 198 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve2.F... cphf_solve2.F:166:11: 159 | $ lshift)) lshift=0.0 | 2 ...... 166 | $ maxiter)) maxiter = 50 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve2.F:238:61: 235 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 238 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve3.F... cphf_solve3.F:227:11: 129 | if (.not. rtdb_get(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 2 ...... 227 | $ precond_tol)) precond_tol=1d-4 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cphf_solve3.F:342:61: 339 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 342 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cphf_solve4.F... cphf_solve4.F:153:11: 151 | $ precond_tol)) precond_tol=1d-4 | 2 152 | if (.not. rtdb_get(rtdb, 'cphf:maxiter', mt_int, 1, 153 | $ max_precond_iter)) max_precond_iter = 100 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cphf_solve4.F:206:61: 203 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 206 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cphf' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcphf.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcphf.a cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcphf.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcphf.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcphf.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cphf' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cphf' Making libraries in ccsd gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ccsd' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ccsd' Compiling ccden_driver.F... Compiling ccden_interm2.F... Compiling ccden_1pdm.F... Compiling ccsd_driver.F... ccsd_driver.F:357:57: 88 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nocc)) | 2 ...... 357 | If ( .NOT. RTDB_Get(RTDB, 'scf:energy', MT_Dbl, 1, RefEner) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_driver.F:384:20: 132 | $ occ_frozen)) | 2 ...... 384 | $ MT_Dbl, 1, EMP2) ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_sortmo.F... Compiling geaxpy.F... Compiling ccden_2pdma.F... Compiling ccden_2pdmb.F... Compiling ccsd_mktau_ga.F... Compiling ccden_interm4.F... Compiling aoccsd2.F... aoccsd2.F:319:11: 316 | if (.not.rtdb_get(rtdb,'ccsd:use_ccsd_omp',mt_log,1,use_ccsd_omp)) | 2 ...... 319 | A ccsd_omp_threads)) ccsd_omp_threads=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccsd_itm.F... Compiling ccsd_itm_omp.F... Compiling ccsd_t2pm.F... ccsd_t2pm.F:436:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 436 | if (eaf_read(sxy_hl,faddr,ival,intsize).ne.0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ccsd_t2pm.F:448:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 448 | if (eaf_read(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_t2pm.F:596:48: 504 | if (eaf_write(sxy_hl,faddr,icount,intsize*2).ne.0) | 2 ...... 596 | if (eaf_write(sxy_hl,faddr,eri1,blocksize).ne.0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_pampt2.F... Compiling ccsd_pampt3.F... Compiling ccsd_idx1.F... Compiling ccsd_idx2.F... Compiling ccsd_idx34.F... Compiling ccsd_tengy.F... Compiling ccsd_trpdrv.F... Compiling ccsd_trpdrv_nb.F... Compiling ccsd_trpdrv_omp.F... Compiling ccsd_trpdrv_omp_mixprec.F... Compiling moints_trp.F... moints_trp.F:136:72: 136 | $ ('moints: cannot get geometry', 0, GEOM_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:141:72: 141 | $ call errquit('moints_trp: cannot get basis info',0,BASIS_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:159:72: 159 | $ call errquit('moints_trp: no memory for syms?',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:162:72: 162 | $ call errquit('moints_trp: cannot ga_create tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:169:72: 169 | $ call errquit('cannot destroy tmp',0, GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:172:72: 172 | & UNKNOWN_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:206:72: 206 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:232:72: 232 | & MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:272:72: 272 | $ call errquit('moints_trp: push ssbb',n_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:293:72: 293 | $ call errquit('moints_trp: push buf',max2e,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:296:72: 296 | $ call errquit('moints_trp: push scr',mem2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:309:72: 309 | $ call errquit('moints_trp: pop iscr',l_iscr,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:311:72: 311 | $ call errquit('moints_trp: pop eri',l_eri,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:315:72: 315 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:322:72: 322 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:337:72: 337 | $ MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:349:72: 349 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:355:72: 355 | $ call errquit('moints_trp: pop ssbb',l_ssbb,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:359:72: 359 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:365:72: 365 | $ call errquit('moints_trp: push hlp2',n_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:377:72: 377 | $ call errquit('moints_trp: pop hlp2',l_hlp2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:384:72: 384 | $ call errquit('moints_trp: push hlp3',n_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:393:72: 393 | $ call errquit('moints_trp: pop hlp3',l_hlp3,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:410:72: 410 | $ call errquit('moints_trp: pop hlp',l_hlp,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:422:72: 422 | $ call errquit('moints_trp: failed to pop', l_shmap, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:450:72: 450 | $ call errquit('moints_trp: pop hlp', l_hlp, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) moints_trp.F:453:72: 453 | $ call errquit('moints_trp: pop sym',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ccsd.F... Compiling ccsd_aux.F... Compiling ccsd_get_param.F... ccsd_get_param.F:21:22: 19 | if (.not. rtdb_get(Rtdb, 'ccsd:ccd', mt_log, 1, occd))occd=.false. | 2 20 | if (.not. rtdb_get(rtdb, 'ccsd:maxiter', 21 | $ MT_INT, 1, maxit)) maxit = 20 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccsd_iterdrv2.F... ccsd_iterdrv2.F:173:60: 111 | if (.not. rtdb_get(rtdb, 'ccsd:usedisk', mt_log, 1, use_disk)) | 2 ...... 173 | if(.not.rtdb_get(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). ccsd_iterdrv2.F:243:60: 239 | if(.not.rtdb_put(rtdb, 'ccsd:corlenerg',MT_DBL, 1, eccsd)) | 2 ...... 243 | if(.not.rtdb_put(rtdb, 'ccsd:converged',MT_LOG, 1, oconverged)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling ccsd_mktask.F... Compiling ccsd_mkt2.F... Compiling ccsd_pdiis.F... Compiling ccsd_trpmo.F... Compiling ccsd_rdtrpo.F... Compiling qstat.F... qstat.F:182:34: 179 | call ga_dgop(msg_qstat_3,nrout,1,'min') | 2 ...... 182 | call ga_dgop(msg_qstat_1,tcp_min,1,'min') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cputime.F... Compiling rddcom.F... Compiling ccsd_input.F... ccsd_input.F:71:57: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 71 | if (.not. rtdb_put(rtdb, 'ccsd:thresh', mt_dbl, 1, convi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_input.F:106:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 106 | $ IList)) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:114:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 114 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:122:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 122 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:130:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 130 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:138:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 138 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:146:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 146 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ccsd_input.F:154:9: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) | 2 ...... 154 | $ IList) ) Call ErrQuit('ccsd: rtdb_put failed', 0, RTDB_ERR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ccsd_graddrv.F... Compiling ccsd_zvecs.F... Compiling ccsd_pzamp.F... ccsd_pzamp.F:131:72: 131 | & g_tz2,iprt) | ^ Warning: 'k_sc3' may be used uninitialized [-Wmaybe-uninitialized] ccsd_pzamp.F:27:25: 27 | & l_sc3,k_sc3,l_sc4,k_sc4, | ^ note: 'k_sc3' declared here Compiling ccsd_zsig1.F... Compiling ccsd_zsig2.F... Compiling ccsd_z2pm.F... Compiling ccsd_tzinta.F... Compiling ccsd_tzintb.F... Compiling ccsd_mem.F... Compiling ccsd_pstat.F... Compiling convert_single_double.F... Compiling ccsd_aosig.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ccsd' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ccsd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libccsd.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libccsd.a ccden_driver.o ccden_interm2.o ccden_1pdm.o ccsd_driver.o ccsd_sortmo.o geaxpy.o ccden_2pdma.o ccden_2pdmb.o ccsd_mktau_ga.o ccden_interm4.o aoccsd2.o ccsd_itm.o ccsd_itm_omp.o ccsd_t2pm.o ccsd_pampt2.o ccsd_pampt3.o ccsd_idx1.o ccsd_idx2.o ccsd_idx34.o ccsd_tengy.o ccsd_trpdrv.o ccsd_trpdrv_nb.o ccsd_trpdrv_omp.o ccsd_trpdrv_omp_mixprec.o moints_trp.o ccsd.o ccsd_aux.o ccsd_get_param.o ccsd_iterdrv2.o ccsd_mktask.o ccsd_mkt2.o ccsd_pdiis.o ccsd_trpmo.o ccsd_rdtrpo.o qstat.o cputime.o rddcom.o ccsd_input.o ccsd_graddrv.o ccsd_zvecs.o ccsd_pzamp.o ccsd_zsig1.o ccsd_zsig2.o ccsd_z2pm.o ccsd_tzinta.o ccsd_tzintb.o ccsd_mem.o ccsd_pstat.o convert_single_double.o ccsd_aosig.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libccsd.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libccsd.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libccsd.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ccsd' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ccsd' Making libraries in vib gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/vib' Compiling vib_bcalc.F... Compiling vib_bend.F... Compiling vib_bstr.F... Compiling vib_cebdab.F... Compiling vib_chkhess.F... Compiling vib_clean.F... Compiling vib_cross.F... Compiling vib_dsquar.F... Compiling vib_dtrngl.F... Compiling vib_eckart.F... Compiling vib_gtors.F... Compiling vib_hmass.F... Compiling vib_libe.F... Compiling vib_nmass.F... Compiling vib_prdata.F... Compiling vib_prntpd.F... Compiling vib_rdinp.F... vib_rdinp.F:95:44: 61 | if (rtdb_get(rtdb,'vib:project',MT_LOG,1,dum_log)) then | 2 ...... 95 | & (rtdb,'vib:remass:count',mt_int,1,num_new_masses)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling vib_setup.F... Compiling vib_tors.F... Compiling vib_transp.F... Compiling vib_vib.F... Compiling vib_wmatrix.F... Compiling vib_wrtfreq.F... vib_wrtfreq.F:199:50: 194 | if (.not.rtdb_put(rtdb,'vib:linear',mt_log,1,.true.)) | 2 ...... 199 | if(.not. rtdb_put(rtdb,'vib:zpe',MT_DBL,1,ezero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling vib_zmatin.F... Compiling vib_intense.F... Compiling vib_istep.F... vib_istep.F:252:33: 248 | & mt_dbl,1,step_size)) then | 2 ...... 252 | & mt_log,1,overwrite_files)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling vib_thermo.F... vib_thermo.F:105:72: 105 | S_elec = R_gas*log(dble(multiplicity)) | ^ Warning: 'r_gas' may be used uninitialized [-Wmaybe-uninitialized] vib_thermo.F:47:28: 47 | double precision R_gas | ^ note: 'r_gas' was declared here vib_thermo.F:109:72: 109 | G_elec = H_elec - Temp * S_elec | ^ Warning: 'temp' may be used uninitialized [-Wmaybe-uninitialized] vib_thermo.F:46:27: 46 | double precision Temp | ^ note: 'temp' was declared here Compiling vib_phonon.F... vib_phonon.F:1127:30: 1125 | call yscal(2*nion3*nion3,1.0d6,dmat,1) | 2 1126 | call jheev('N','U',nion3,dmat,nion3,wp,work,lwork,rwork,ierr) 1127 | call yscal(nion3,1.0d-6,wp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). vib_phonon.F:53:52: 53 | if (.not.rtdb_get(rtdb,'vib:animate',mt_log,1,animate)) | 1 ...... 584 | if(.not. rtdb_get(rtdb,'vib:scalefreq',MT_DBL,1,scalefreq)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vib_phonon.F:156:72: 156 | > hess,dbl_mb(hessadjust(1))) | 1 Warning: Type mismatch in argument 'w1' at (1); passed COMPLEX(8) to REAL(8) Compiling vib_zone_input.F... vib_zone_input.F:138:26: 130 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 138 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling vib_input.F... vib_input.F:70:51: 61 | if (.not.rtdb_put(rtdb,'vib:animate',mt_log,1,.true.)) | 2 ...... 70 | & 'vib:animate:step_size',mt_dbl,1,animate_step)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/vib' Compiling vib_callg.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/vib' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/vib' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libvib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libvib.a vib_bcalc.o vib_bend.o vib_bstr.o vib_cebdab.o vib_chkhess.o vib_clean.o vib_cross.o vib_dsquar.o vib_dtrngl.o vib_eckart.o vib_gtors.o vib_hmass.o vib_libe.o vib_nmass.o vib_prdata.o vib_prntpd.o vib_rdinp.o vib_setup.o vib_tors.o vib_transp.o vib_vib.o vib_wmatrix.o vib_wrtfreq.o vib_zmatin.o vib_intense.o vib_istep.o vib_thermo.o vib_phonon.o vib_zone_input.o vib_input.o vib_callg.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libvib.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libvib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libvib.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/vib' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/vib' Making libraries in mcscf gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mcscf' Compiling mcscf.F... mcscf.F:843:52: 843 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 1 ...... 891 | if (.not.rtdb_get(rtdb,'mcscf:prof',MT_LOG,1,omcscfprof)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mcscf.F:863:60: 863 | if (.not. rtdb_put(rtdb, 'mcscf:nclosed', mt_int, 1, nclosed)) | 1 ...... 902 | if (.not.rtdb_put(rtdb,'scf:pstat',MT_LOG,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling mcscf_b.F... mcscf_b.F:222:52: 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 ...... 222 | $ call ga_put(g_dens, aoff, aend, aoff, aend, dm1, nact ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mcscf_b.F:97:51: 97 | $ call ga_put(g_tmp, aoff, aend, aoff, aend, dm1, nact ) | 1 ...... 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mcscf_aux.F... mcscf_aux.F:337:58: 335 | if (.not. rtdb_get(rtdb, 'mcscf:tol2e', MT_DBL, 1, tol2e)) | 2 336 | $ tol2e = 1d-9 337 | if (.not.rtdb_get(rtdb, 'mcscf:skeleton',MT_LOG, 1, oskel)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). mcscf_aux.F:985:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 985 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:998:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 998 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1010:51: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1010 | if (oscreen) call ga_put(g_v,ii,ii,1,1,zero,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1468:32: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1468 | call ga_put(g_u,i,i,i,i,1.d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1473:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1473 | call ga_put(g_u,ii,ii,ii,ii,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1474:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1474 | call ga_put(g_u,jj,jj,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1476:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1476 | call ga_put(g_u,ii,ii,jj,jj,xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mcscf_aux.F:1477:36: 199 | $ call ga_put(g_dm1,1,nact,1,nact,dm1,nact) | 2 ...... 1477 | call ga_put(g_u,jj,jj,ii,ii,-xx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mcscf_ci.F... mcscf_ci.F:158:59: 81 | if (.not.rtdb_get(rtdb,'mcscf:cimaxiter',MT_INT,1,maxiter)) | 2 ...... 158 | if (rtdb_get(rtdb,'mcscf:guess',MT_INT,(nela+nelb),itmp)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling mcscf_etr.F... Compiling mcscf_fcore.F... Compiling mcscf_fock.F... mcscf_fock.F:576:40: 574 | $ nclosed+1,nclosed+nact,nclosed+1,nclosed+nact, dm1, nact) | 2 575 | do p = 1, nclosed 576 | call ga_put(g_gfock,p,p,p,p,2.0d0,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mcscf_hdiag.F... Compiling mcscf_ohv.F... Compiling mcscf_ohv1e.F... Compiling mcscf_ohv2e.F... Compiling mcscf_ohvao.F... Compiling mcscf_ohvmo.F... Compiling mcscf_orb.F... mcscf_orb.F:112:60: 104 | if (.not. rtdb_get(rtdb,'mcscf:tol2e',MT_DBL,1,tol2e)) then | 2 ...... 112 | if (.not. rtdb_get(rtdb,'mcscf:hessiantype',MT_INT,1,pflg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling mcscf_prcnd.F... Compiling mcscf_debug.F... Compiling mcscf_input.F... mcscf_input.F:75:59: 67 | if (.not. rtdb_put(rtdb, 'mcscf:thresh', mt_dbl, 1, conv)) | 2 ...... 75 | if (.not. rtdb_put(rtdb, 'mcscf:maxiter', mt_int, 1, maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Making all in detci gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mcscf/detci' Compiling detci_aux.F... Compiling detci_intf.F... detci_intf.F:919:22: 373 | call ga_dgop(msg_detci_maxsync, detci_absync_etime, | 2 ...... 919 | call ga_dgop(1, twopdm, nn*nn, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mcscf/detci' Compiling detci_dens.F... Compiling detci_diag.F... Compiling detci_sigma.F... Compiling detci_spin.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mcscf/detci' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mcscf/detci' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmcscf.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmcscf.a detci_aux.o detci_intf.o detci_dens.o detci_diag.o detci_sigma.o detci_spin.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmcscf.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmcscf.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmcscf.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mcscf/detci' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mcscf/detci' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mcscf' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmcscf.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmcscf.a mcscf.o mcscf_b.o mcscf_aux.o mcscf_ci.o mcscf_etr.o mcscf_fcore.o mcscf_fock.o mcscf_hdiag.o mcscf_ohv.o mcscf_ohv1e.o mcscf_ohv2e.o mcscf_ohvao.o mcscf_ohvmo.o mcscf_orb.o mcscf_prcnd.o mcscf_debug.o mcscf_input.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmcscf.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmcscf.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mcscf' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mcscf' Making libraries in prepar gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/prepar' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/prepar' Compiling prepar.F... Compiling pre_admin.F... pre_admin.F:178:72: 178 | return | ^ Warning: '__result_pre_admin' may be used uninitialized [-Wmaybe-uninitialized] pre_admin.F:1:32: 1 | logical function pre_admin(lfncmd,filcmd,lfnout,lfnfrg) | ^ note: '__result_pre_admin' was declared here Compiling pre_align.F... Compiling pre_ang.F... Compiling pre_atmscn.F... Compiling pre_atnam.F... Compiling pre_atnum.F... Compiling pre_atom_index.F... Compiling pre_atrad.F... Compiling pre_atype.F... Compiling pre_base.F... Compiling pre_bnd.F... Compiling pre_bonds.F... Compiling pre_boxsiz.F... Compiling pre_center.F... Compiling pre_charge.F... pre_charge.F:190:51: 131 | if(.not.rtdb_put(irtdb,'charge',mt_dbl,1,charge)) | 2 ...... 190 | if(.not.rtdb_put(irtdb,'esp:newgrd',mt_int,1,newgrd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling pre_check.F... Compiling pre_collaps.F... Compiling pre_crop.F... Compiling pre_dih.F... Compiling pre_dihimp.F... Compiling pre_dihsel.F... Compiling pre_dimens.F... Compiling pre_disres.F... Compiling pre_dummy.F... Compiling pre_equiv.F... Compiling pre_excl.F... Compiling pre_ffield.F... pre_ffield.F:264:9: 264 | if(icomb.ne.jcomb) then | ^ Warning: 'jcomb' may be used uninitialized [-Wmaybe-uninitialized] pre_ffield.F:39:56: 39 | integer i,j,length,nt,ng,latnum,mult,ifnd,nd,jcomb | ^ note: 'jcomb' was declared here Compiling pre_fix.F... Compiling pre_frgsiz.F... Compiling pre_frgrd.F... Compiling pre_gensgm.F... Compiling pre_his.F... Compiling pre_hnames.F... Compiling pre_hybrid.F... Compiling pre_imp.F... Compiling pre_input.F... pre_input.F:1239:72: 1239 | if(.not.inp_i(icolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1240:72: 1240 | if(.not.inp_i(jcolgrp)) call md_abort('pre_input collapse_group') | 1 Warning: Missing actual argument for argument '_formal_5' at (1) pre_input.F:1874:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1874 | if(.not.rtdb_put(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1885:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1885 | if(.not.rtdb_put(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1890:52: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1890 | if(.not.rtdb_put(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pre_input.F:1900:57: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1900 | if(.not.rtdb_put(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_input.F:1902:59: 1851 | if(.not.rtdb_put(irtdb,'prep:model',mt_int,1,model)) | 2 ...... 1902 | if(.not.rtdb_put(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_links.F... pre_links.F:251:9: 251 | if(pre_protein(cseq(1,i))) goto 14 | 1 Warning: Missing actual argument for argument '_formal_15' at (1) Compiling pre_master.F... Compiling pre_merge.F... pre_merge.F:88:37: 88 | + (card(17:17).ne.altloc).and.(altloc.ne.'*')) goto 1 | ^ Warning: 'altloc[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:24: 14 | character*1 altloc,chain | ^ note: 'altloc[1]{lb: 1 sz: 1}' was declared here pre_merge.F:95:36: 95 | + (card(22:22).ne.chain).and.(chain.ne.'*')) goto 1 | ^ Warning: 'chain[1]{lb: 1 sz: 1}' may be used uninitialized [-Wmaybe-uninitialized] pre_merge.F:14:30: 14 | character*1 altloc,chain | ^ note: 'chain[1]{lb: 1 sz: 1}' was declared here Compiling pre_misfit.F... Compiling pre_mkfrg.F... Compiling pre_mklist.F... Compiling pre_mknoe.F... Compiling pre_mkrst.F... Compiling pre_mkseq.F... Compiling pre_mksgm.F... Compiling pre_mktop.F... Compiling pre_modify.F... Compiling pre_multip.F... Compiling pre_namiup.F... Compiling pre_natyps.F... Compiling pre_nonbon.F... Compiling pre_nucleic.F... Compiling pre_orient.F... Compiling pre_params.F... Compiling pre_parcnv.F... Compiling pre_paths.F... Compiling pre_paths2.F... Compiling pre_pdbseq.F... Compiling pre_pdbsiz.F... Compiling pre_protein.F... Compiling pre_rdgeom.F... Compiling pre_rdpdb.F... Compiling pre_rstmod.F... Compiling pre_rdrst.F... Compiling pre_rdseq.F... Compiling pre_rdsgm.F... Compiling pre_removw.F... Compiling pre_rename.F... Compiling pre_repeat.F... Compiling pre_rot.F... Compiling pre_rotate.F... Compiling pre_rstsiz.F... Compiling pre_rtdbin.F... pre_rtdbin.F:90:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 90 | if(.not.rtdb_get(irtdb,'prep:ifract',mt_int,nfract,ifract)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:96:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 96 | if(.not.rtdb_get(irtdb,'prep:icount',mt_int,ncount,icount)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:101:52: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 101 | if(.not.rtdb_get(irtdb,'prep:fcount',mt_dbl,1,fcount)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pre_rtdbin.F:106:57: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 106 | if(.not.rtdb_get(irtdb,'prep:iogrid',mt_int,nrgrid,iogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pre_rtdbin.F:108:59: 82 | if(.not.rtdb_get(irtdb,'md:mdold',mt_int,1,mdold)) mdold=0 | 2 ...... 108 | if(.not.rtdb_get(irtdb,'prep:rogrid',mt_int,2*nrgrid,rogrid)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pre_rtdbsq.F... Compiling pre_select.F... pre_select.F:45:40: 45 | call atom_selection(csa,isegm,nsa,card,int_mb(i_list)) | 1 Warning: Character length of actual argument shorter than of dummy argument 'target' (80/255) at (1) Compiling pre_seqsiz.F... Compiling pre_sgmfil.F... Compiling pre_sgmndx.F... Compiling pre_sgmnum.F... Compiling pre_sgmsiz.F... Compiling pre_short.F... Compiling pre_slvnum.F... Compiling pre_slvrd.F... Compiling pre_slvsiz.F... Compiling pre_solvat.F... Compiling pre_task.F... Compiling pre_term.F... Compiling pre_third.F... Compiling pre_toprd.F... Compiling pre_topsiz.F... Compiling pre_torang.F... Compiling pre_transl.F... Compiling pre_wrtnam.F... Compiling pre_wrtnoe.F... Compiling pre_wrtpdb.F... Compiling pre_wrtpmf.F... Compiling pre_wrtpov.F... Compiling pre_wrtrst.F... Compiling pre_wrtseq.F... Compiling pre_wrtsgm.F... Compiling pre_wrttop.F... Compiling pre_wrtxyz.F... Compiling pre_impctr.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/prepar' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/prepar' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libprepar.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libprepar.a prepar.o pre_admin.o pre_align.o pre_ang.o pre_atmscn.o pre_atnam.o pre_atnum.o pre_atom_index.o pre_atrad.o pre_atype.o pre_base.o pre_bnd.o pre_bonds.o pre_boxsiz.o pre_center.o pre_charge.o pre_check.o pre_collaps.o pre_crop.o pre_dih.o pre_dihimp.o pre_dihsel.o pre_dimens.o pre_disres.o pre_dummy.o pre_equiv.o pre_excl.o pre_ffield.o pre_fix.o pre_frgsiz.o pre_frgrd.o pre_gensgm.o pre_his.o pre_hnames.o pre_hybrid.o pre_imp.o pre_input.o pre_links.o pre_master.o pre_merge.o pre_misfit.o pre_mkfrg.o pre_mklist.o pre_mknoe.o pre_mkrst.o pre_mkseq.o pre_mksgm.o pre_mktop.o pre_modify.o pre_multip.o pre_namiup.o pre_natyps.o pre_nonbon.o pre_nucleic.o pre_orient.o pre_params.o pre_parcnv.o pre_paths.o pre_paths2.o pre_pdbseq.o pre_pdbsiz.o pre_protein.o pre_rdgeom.o pre_rdpdb.o pre_rstmod.o pre_rdrst.o pre_rdseq.o pre_rdsgm.o pre_removw.o pre_rename.o pre_repeat.o pre_rot.o pre_rotate.o pre_rstsiz.o pre_rtdbin.o pre_rtdbsq.o pre_select.o pre_seqsiz.o pre_sgmfil.o pre_sgmndx.o pre_sgmnum.o pre_sgmsiz.o pre_short.o pre_slvnum.o pre_slvrd.o pre_slvsiz.o pre_solvat.o pre_task.o pre_term.o pre_third.o pre_toprd.o pre_topsiz.o pre_torang.o pre_transl.o pre_wrtnam.o pre_wrtnoe.o pre_wrtpdb.o pre_wrtpmf.o pre_wrtpov.o pre_wrtrst.o pre_wrtseq.o pre_wrtsgm.o pre_wrttop.o pre_wrtxyz.o pre_impctr.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libprepar.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libprepar.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libprepar.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/prepar' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/prepar' Making libraries in esp gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/esp' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/esp' Compiling esp.F... Compiling esp_dalloc.F... Compiling esp_denmat.F... Compiling esp_elemom.F... Compiling esp_esp.F... Compiling esp_fastesp.F... Compiling esp_getden.F... Compiling esp_fit.F... Compiling esp_getg.F... Compiling esp_getx.F... Compiling esp_grdcnt.F... Compiling esp_grid.F... esp_grid.F:70:31: 29 | call ga_brdcst(mre_013,v,ngrid*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 ...... 70 | call ga_brdcst(mre_001,ngrid,ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling esp_input.F... esp_input.F:441:53: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 441 | if(.not.rtdb_put(irtdb,'esp:radius',mt_dbl,107,radius)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_input.F:444:51: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 444 | if(.not.rtdb_put(irtdb,'esp:nconst',mt_int,1,nconst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). esp_input.F:451:54: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) | 2 ...... 451 | if(.not.rtdb_put(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_malloc.F... Compiling esp_matinv.F... Compiling esp_out.F... Compiling esp_plt.F... Compiling esp_rms.F... Compiling esp_rtdbin.F... esp_rtdbin.F:67:53: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 67 | if(.not.rtdb_get(irtdb,'esp:radius',mt_dbl,107,radius)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) esp_rtdbin.F:176:51: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 176 | if(.not.rtdb_get(irtdb,'esp:nconst',mt_int,1,nconst)) nconst=0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). esp_rtdbin.F:182:54: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 | 2 ...... 182 | if(.not.rtdb_get(irtdb,'esp:rcon',mt_dbl,nconst,rcon)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling esp_wrtinp.F... Compiling esp_jacobi.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/esp' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/esp' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libesp.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libesp.a esp.o esp_dalloc.o esp_denmat.o esp_elemom.o esp_esp.o esp_fastesp.o esp_getden.o esp_fit.o esp_getg.o esp_getx.o esp_grdcnt.o esp_grid.o esp_input.o esp_malloc.o esp_matinv.o esp_out.o esp_plt.o esp_rms.o esp_rtdbin.o esp_wrtinp.o esp_jacobi.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libesp.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libesp.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libesp.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/esp' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/esp' Making libraries in hessian gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian' Compiling hess_blas.F... hess_blas.F:161:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 161 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hess_blas.F:183:31: 79 | $ g_vecs, 1, nbf, 1, nocc, | 2 ...... 183 | $ g_dens, 1, nbf, 1, nocc, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_input.F... hess_input.F:40:63: 32 | if (.not. rtdb_put(rtdb,'hess:pstat', MT_LOG, 1, .true.)) | 2 ...... 40 | if (.not. rtdb_put(rtdb, 'hessian:thresh', mt_dbl, 1, conv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Making all in analytic gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic' Compiling hess_anal.F... Compiling hess_init.F... hess_init.F:203:57: 170 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 203 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hess_init.F:244:55: 170 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nclosed)) | 2 ...... 244 | if (.not. rtdb_get(rtdb, 'dft:noc', mt_int, 2, dftnoc)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_energyinit.F... hess_energyinit.F:63:60: 32 | $ call errquit('hess_energyinit: theory not specified',555, | 2 ...... 63 | $ call errquit('hess_energyinit: rtdb_put failed',ithresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hess_energyinit.F:112:9: 59 | if (rtdb_get(rtdb, 'hessian:thresh', MT_DBL,1, ithresh)) then | 2 ...... 112 | & itol2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). hess_energyinit.F:118:9: 62 | if (.not. rtdb_put(rtdb, 'scf:thresh', MT_DBL, 1, ithresh)) | 2 ...... 118 | & itol2e))call errquit('hessint:rtdbput failed',1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling hess_check.F... hess_check.F:53:57: 37 | if (.not. rtdb_get(rtdb, 'dyall_mod_dir', MT_LOG, 1, dmd_rel)) | 2 ...... 53 | if (.not. rtdb_get(rtdb, 'scf:nopen', MT_INT, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nucdd_cont.F... Compiling nucdd_calc.F... Compiling oned_calc.F... Compiling onedd_cont.F... Compiling get_wdens.F... Compiling onedd_calc.F... Compiling hess_dipder.F... Compiling twodd_cont.F... Compiling twodd_coul_ex.F... Compiling shell_fock_build.F... shell_fock_build.F:851:26: 418 | call ga_igop(375,dorep_glob,1, '+') | 2 ...... 851 | call ga_igop(65331, cache_hitmiss, 12, '+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) shell_fock_build.F:1329:32: 626 | D d_ij,1,d_kl,1) | 2 ...... 1329 | call ycopy(nfock*idim, 0d0, 0,f_ij(1,1,j), 1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling shell_fock_build_cam.F... Compiling hess_cphf.F... hess_cphf.F:1212:61: 1209 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 1212 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling hess_pxfy.F... Compiling hess_sxsy.F... Compiling sx_dra.F... sx_dra.F:105:51: 41 | call nga_copy_patch('N', g_sx, loa, hia, g_temp, lob, hib) | 2 ...... 105 | call nga_copy_patch('N', g_temp, lob, hib, g_sx, loa, hia) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hess_wrt.F... Compiling hess_restart.F... Compiling hess_hssout.F... Compiling hess_print.F... Compiling hess_tidy.F... hess_tidy.F:77:59: 23 | * call errquit('hess_tidy: geom_destroy problem', 555, GEOM_ERR) | 2 ...... 77 | $ call errquit('hess_energytidy: rtdb_put failed',tthresh, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling uhf_fock_setup.F... Compiling uhf_fock_finish.F... Compiling print_dens_bit.F... Compiling shell_fock_build_ext.F... Compiling hess_utils.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic' Making all in dft gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic/dft' Compiling xc_d2expl.F... gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic/dft' Compiling xc_cpks_coeff.F... Compiling xc_exit_index.F... Compiling xc_init_index.F... Compiling xc_nucder_gen.F... xc_nucder_gen.F:26:43: 26 | , g_dens, nactive, oactive, hess, 0, 2) | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-3 and scalar) xc_nucder_gen.F:53:38: 53 | , g_dens, nactive, oactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) Compiling dft_3dacc.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic/dft' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic/dft' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libhessian.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libhessian.a xc_d2expl.o xc_cpks_coeff.o xc_exit_index.o xc_init_index.o xc_nucder_gen.o dft_3dacc.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libhessian.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libhessian.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libhessian.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic/dft' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic/dft' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libhessian.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libhessian.a hess_anal.o hess_init.o hess_energyinit.o hess_check.o nucdd_cont.o nucdd_calc.o oned_calc.o onedd_cont.o get_wdens.o onedd_calc.o hess_dipder.o twodd_cont.o twodd_coul_ex.o shell_fock_build.o shell_fock_build_cam.o hess_cphf.o hess_pxfy.o hess_sxsy.o sx_dra.o hess_wrt.o hess_restart.o hess_hssout.o hess_print.o hess_tidy.o uhf_fock_setup.o uhf_fock_finish.o print_dens_bit.o shell_fock_build_ext.o hess_utils.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libhessian.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libhessian.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian/analytic' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libhessian.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libhessian.a hess_blas.o hess_input.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libhessian.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libhessian.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/hessian' Making libraries in selci gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/selci' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/selci' Compiling iprtri.F... Compiling prtri.F... Compiling selci_icopy.f... Compiling selci_yacobi.f... Compiling tred1.f... Compiling tqlrat.f... tqlrat.f:108:16: 108 | if (e2(m) .le. c) go to 120 | ^ Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:26: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'c' was declared here tqlrat.f:155:72: 155 | 210 p = d(l) + f | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] tqlrat.f:49:24: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'b' was declared here Compiling loadw.F... Compiling rdhint.F... Compiling rdhcon.f... Compiling rdhwmt.f... Compiling rdconf.f... Compiling upkcon.F... Compiling prtcon.f... Compiling wrtcon.f... Compiling iodiff.F... Compiling bserch.F... Compiling readh.F... Compiling selci_renorm.f... Compiling selci_sread.f... Compiling selci_swrite.f... Compiling pkcon.F... Compiling wthcon.f... Compiling wtconf.f... Compiling vadd.f... Compiling idmin.f... Compiling isum.f... Compiling rd1.F... rd1.F:272:23: 189 | call ifill(nuw,0,u,1) | 2 ...... 272 | call ifill(nuw,0,u,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(2)/LOGICAL(1)). rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:61:72: 61 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:64:72: 64 | call selci_ulab8(buf(nipbuf+1),ibuf,2*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to LOGICAL(1) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:43:72: 43 | call selci_ulab16(buf(lbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to INTEGER(2) rd1.F:101:72: 101 | call selci_ulab16(buffer(lenbuf),info,4) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to INTEGER(2) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'p' at (1); passed REAL(8) to LOGICAL(1) rd1.F:105:72: 105 | call selci_ulab8(buffer(n2eabf+1),ibuf,4*num) | 1 Warning: Type mismatch in argument 'u' at (1); passed INTEGER(8) to LOGICAL(1) Compiling fcidim.F... Compiling axb.f... Compiling axbt.f... Compiling gettim.f... Compiling cputm.c... Compiling minit.F... Compiling mxmb.f... Compiling selci_check.f... Compiling davids.F... davids.F:185:26: 167 | call ga_brdcst(101, ci(1,1,nvec), mdtob(nroot*nci), 0) | 2 ...... 185 | call ga_brdcst(102, ndone, mitob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'ioconf' at (1); passed REAL(8) to INTEGER(8) Compiling sigma.F... Compiling conf.F... conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ioccrf' at (1); passed REAL(8) to INTEGER(8) conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) | 1 Warning: Type mismatch in argument 'ixstak' at (1); passed REAL(8) to INTEGER(8) conf.F:171:54: 115 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 171 | if (.not. rtdb_get(rtdb,'scf:nopen', mt_int, 1, nopen)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). conf.F:56:72: 56 | call selci_start(rtdb, title, q(irefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:60:72: 60 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:60:72: 60 | call selci_refgen(q, q(irefo),q(jrefo)) | 1 Warning: Type mismatch in argument 'jrefo' at (1); passed REAL(8) to INTEGER(8) conf.F:65:72: 65 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'irefo' at (1); passed REAL(8) to INTEGER(8) conf.F:65:72: 65 | call selci_chkci(q(irefo),q(indxci),wmatrx) | 1 Warning: Type mismatch in argument 'indxci' at (1); passed REAL(8) to INTEGER(8) Compiling ci.F... Compiling initci.F... Compiling rdhead.F... Compiling load.F... Compiling loada.F... Compiling mkinta.F... Compiling pconls.F... Compiling makeh.F... Compiling mkindb.f... Compiling eij.F... Compiling eijeji.F... Compiling makehd.F... Compiling makef.F... Compiling loadg.F... Compiling getij.F... Compiling makehs.F... Compiling eirerj.F... Compiling loadab.F... Compiling couple.c... Compiling gtijkl.F... Compiling eijkj.F... Compiling makhdb.F... Compiling eijil.F... Compiling mknsneed.F... Compiling eijkl.F... Compiling putinb.F... Compiling inicij.F... Compiling ointer.F... Compiling oeq.f... Compiling selci_select.F... selci_select.F:45:24: 43 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 44 | call ga_brdcst(9,iwpt,mitob(1),0) 45 | call ga_brdcst(10,repnuc,lencib,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). selci_select.F:122:25: 43 | call ga_brdcst(81,nconmx,mitob(1),0) | 2 ...... 122 | call ga_brdcst(191,map,mitob(norbs),0) ! sorted orbitals by occ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling selci.F... selci.F:110:59: 76 | if (.not. rtdb_get(rtdb,'selci:cckohn_ci',mt_log,1,cckohn_ci)) | 2 ...... 110 | if (.not. rtdb_get(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). selci.F:186:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 186 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:224:64: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 224 | if (.not. rtdb_put(rtdb, 'selci:roots', mt_dbl, nroot, roots)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) selci.F:228:29: 113 | if (.not. rtdb_put(rtdb, 'fourindex:tol', mt_dbl, 1, findtol)) | 2 ...... 228 | $ mt_dbl, nroot, rootspt)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ptidy.F... ptidy.F:46:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 46 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ptidy.F:49:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) | 2 ...... 49 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ptidy.F:74:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 74 | call rcv(23, eptn, mdtob(nroot), len, islave, node, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ptidy.F:78:25: 64 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 78 | call rcv(26, irangen, mitob(21), len, islave, node, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling anal.F... Compiling mkindx.F... Compiling slect.F... Compiling tester.F... Compiling mkdele.F... Compiling mkvc.F... Compiling e0mp2.F... Compiling mpdele.F... Compiling stool.F... stool.F:74:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 74 | call snd(23, ept, mdtob(nroot), node0, isync) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). stool.F:77:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) | 2 ...... 77 | call snd(26, irange, mitob(21), node0, isync) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stool.F:100:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 100 | call rcv(23, eptn, mdtob(nroot), len, islave, node, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). stool.F:106:25: 90 | call rcv(21, new, mitob(1), len, islave, node, isync) | 2 ...... 106 | call rcv(26, irangen, mitob(nrange), len, islave, node, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling restk.F... Compiling restin.F... Compiling orbanal.F... Compiling selci_hpp.F... Compiling mxma.f... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/selci' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/selci' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libselci.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libselci.a iprtri.o prtri.o selci_icopy.o selci_yacobi.o tred1.o tqlrat.o loadw.o rdhint.o rdhcon.o rdhwmt.o rdconf.o upkcon.o prtcon.o wrtcon.o iodiff.o bserch.o readh.o selci_renorm.o selci_sread.o selci_swrite.o pkcon.o wthcon.o wtconf.o vadd.o idmin.o isum.o rd1.o fcidim.o axb.o axbt.o gettim.o cputm.o minit.o mxmb.o selci_check.o davids.o sigma.o conf.o ci.o initci.o rdhead.o load.o loada.o mkinta.o pconls.o makeh.o mkindb.o eij.o eijeji.o makehd.o makef.o loadg.o getij.o makehs.o eirerj.o loadab.o couple.o gtijkl.o eijkj.o makhdb.o eijil.o mknsneed.o eijkl.o putinb.o inicij.o ointer.o oeq.o selci_select.o selci.o ptidy.o anal.o mkindx.o slect.o tester.o mkdele.o mkvc.o e0mp2.o mpdele.o stool.o restk.o restin.o orbanal.o selci_hpp.o mxma.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libselci.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libselci.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libselci.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/selci' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/selci' Making libraries in dplot gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dplot' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dplot' Compiling dplot.F... dplot.F:107:52: 87 | & lgaussian)) then | 2 ...... 107 | If (.not.rtdb_get(rtdb,'dplot:iroot',mt_int,1,iroot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). dplot.F:448:72: 448 | Call ycopy(3*nAtom,Dbl_mb(k_xyz),1,Dbl_mb(k_Grid+3*Atom_Off),1) | ^ Warning: 'atom_off' may be used uninitialized [-Wmaybe-uninitialized] dplot.F:44:61: 44 | Integer nGrid,k_Grid,l_Grid,nPoint,nAtom,iAtom,Atom_Off | ^ note: 'atom_off' was declared here Compiling get_grid.F... Compiling create_contour.F... Compiling dmat.F... Compiling errmem.F... Compiling get_dens.F... Compiling dplot_input.F... dplot_input.F:299:58: 295 | & lgaussian)) call errquit('dpinput:rtdbwr failed',11,0) | 2 ...... 299 | If (.not.rtdb_put(rtdb,'dplot:Ext_From_To',mt_dbl,6,Ext_From_To)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling get_charges.F... Compiling dplot_defgrid.F... Compiling dplot_dump.F... Compiling dplot_dos.F... dplot_dos.F:86:11: 84 | & 1,nstep)) nstep=1000 | 2 85 | if (.not.rtdb_get(rtdb,'dplot:dos_sigma',mt_dbl, 86 | & 1,sigma)) sigma=0.025d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ao_rdm_read.F... ao_rdm_read.F:123:72: 123 | return | ^ Warning: '__result_ao_rdm_read' may be used uninitialized [-Wmaybe-uninitialized] ao_rdm_read.F:1:34: 1 | logical function ao_rdm_read(filename,basis, g_dens) | ^ note: '__result_ao_rdm_read' was declared here Compiling get_transden.F... get_transden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). get_transden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_transden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling get_diffden.F... get_diffden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 104 | call ga_brdcst(Msg_Vec_NMO+MSGINT, tda, logisize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). get_diffden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 107 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nocc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:108:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 108 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nmo, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:109:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 109 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfc, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:110:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 110 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nfv, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) get_diffden.F:111:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) | 2 ...... 111 | call ga_brdcst(Msg_Vec_NMO+MSGINT, nov, inntsize*2, 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dplot' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dplot' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdplot.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdplot.a dplot.o get_grid.o create_contour.o dmat.o errmem.o get_dens.o dplot_input.o get_charges.o dplot_defgrid.o dplot_dump.o dplot_dos.o ao_rdm_read.o get_transden.o get_diffden.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdplot.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdplot.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdplot.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dplot' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dplot' Making libraries in mp2_grad gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mp2_grad' Compiling mp2_grad.F... mp2_grad.F:44:54: 37 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 44 | if (.not. rtdb_get(rtdb,'dft:e_conv',mt_dbl,1,threshscf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_energy.F... mp2_energy.F:153:11: 96 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) | 2 ...... 153 | $ nva_frozen)) nva_frozen = 0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mp2_energy.F:645:47: 372 | $ noa_frozen,1) | 2 ...... 645 | call ecce_print1('total energy', mt_dbl, e_total, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mp2_energy.F:647:63: 148 | $ noa_frozen)) | 2 ...... 647 | if(.not. rtdb_put(rtdb,'mp2:correlation energy',mt_dbl,1,e2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mp2_grad_doit.F... mp2_grad_doit.F:143:50: 143 | if(rtdb_get(rtdb,'mp2:scratchdisk',mt_dbl,1,avail_file)) then | 1 ...... 560 | $ MT_INT, 1, mp2_eaftype)) mp2_eaftype= | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mp2_make_cphf_rhs.F... Compiling mp2_make_tot_dens.F... Compiling mp2_make_tot_wdens.F... Compiling mp2_make_dip_mom.F... Compiling mp2_pstat.F... Compiling mp2_input.F... mp2_input.F:126:56: 48 | if (.not. rtdb_put(rtdb, 'mp2:aotol2e', mt_dbl, 1, aotol2e)) | 2 ...... 126 | if (.not. rtdb_put(rtdb, 'mp2:scs', mt_log, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling mp2_make_piy.F... Compiling mp2_make_nos.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mp2_grad' Compiling mp2_back_transform.F... mp2_back_transform.F:377:55: 374 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 377 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). mp2_back_transform.F:1098:72: 1098 | C dbl_mb(k_buff),ilo,ihi,jlo,jhi) | ^ Warning: 'k_buff' may be used uninitialized [-Wmaybe-uninitialized] mp2_back_transform.F:1082:20: 1082 | integer k_buff,l_buff | ^ note: 'k_buff' declared here Compiling mp2_read_tiajb.F... Compiling mp2_pijab_uhf.F... mp2_pijab_uhf.F:109:55: 106 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 109 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_wijab_uhf.F... mp2_wijab_uhf.F:102:55: 99 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 102 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_lai_uhf.F... mp2_lai_uhf.F:84:55: 81 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... 84 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mp2_lai_fock_uhf.F... Compiling mp2_memory.F... mp2_memory.F:242:24: 79 | call ga_igop(543, nnbf_sparse, 1, '+') | 2 ...... 242 | call ga_igop(542, max_file, 1, 'max') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mp2_make_tuhf.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mp2_grad' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mp2_grad' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmp2.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmp2.a mp2_grad.o mp2_energy.o mp2_grad_doit.o mp2_make_cphf_rhs.o mp2_make_tot_dens.o mp2_make_tot_wdens.o mp2_make_dip_mom.o mp2_pstat.o mp2_input.o mp2_make_piy.o mp2_make_nos.o mp2_back_transform.o mp2_read_tiajb.o mp2_pijab_uhf.o mp2_wijab_uhf.o mp2_lai_uhf.o mp2_lai_fock_uhf.o mp2_memory.o mp2_make_tuhf.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmp2.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmp2.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmp2.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mp2_grad' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mp2_grad' Making libraries in qhop gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qhop' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qhop' Compiling qhop_setup.F... qhop_setup.F:357:39-48: 357 | read(lfnhdb,1005) (zpef(numpar+1,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_setup.F:434:32-41: 434 | write(lfntop,1005)(zpef(i,m),m=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) Compiling qhop_asite.F... Compiling qhop_dsite.F... Compiling qhop_prob.F... Compiling qhop_init.F... qhop_init.F:185:35-44: 185 | read(lfntop,1005) (zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:197:35-44: 197 | write(lfnout,1005)(zpef(ipar,i),i=1,6) | 1 2 Warning: Array reference at (1) out of bounds (6 > 3) in loop beginning at (2) qhop_init.F:88:28: 45 | call ga_brdcst(hop_01,idata,9*numbi,0) | 2 ...... 88 | call ga_brdcst(hop_06,dbl_mb(i_racs),2*mxar*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qhop_pindex.F... Compiling qhop_final.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qhop' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qhop' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqhop.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqhop.a qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqhop.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqhop.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqhop.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qhop' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qhop' Making libraries in property gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/property' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/property' Compiling hnd_efgmap.F... hnd_efgmap.F:115:15: 99 | if (rtdb_get(rtdb,'cosmo:nefc',mt_int,1,ncosbq).and.(ncosbq.gt.0)) | 2 ...... 115 | & dbl_mb(k_efcc))) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_efgmap.F:255:49: 253 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 254 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 255 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap.F:39:19: 39 | integer i_cbq | ^ Warning: 'i_cbq' may be used uninitialized [-Wmaybe-uninitialized] hnd_efgmap.F:40:19: 40 | integer i_qbq | ^ Warning: 'i_qbq' may be used uninitialized [-Wmaybe-uninitialized] Compiling hnd_efgmap_z4.F... hnd_efgmap_z4.F:941:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 941 | call ga_get(g_a,i,i,i,i,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:947:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) | 2 ...... 947 | call ga_get(g_a,i,i,j,j,val,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:1067:44: 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 ...... 1067 | & mt_int,nat_slc,atomnr)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_efgmap_z4.F:316:15: 316 | & dbl_mb(k_efcc))) call | 1 ...... 660 | if (.not. rtdb_get(rtdb, 'dft:ipol',mt_int,1,ipolmunu)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_efgmap_z4.F:478:49: 476 | call ecce_print1('EFG eigenvalues',MT_DBL,eig,3) | 2 477 | call ecce_print2('EFG eigenvectors',MT_DBL,vec,3,3,3) 478 | call ecce_print1('EFG asymmetry',MT_DBL,eta,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_efgmap_z4.F:50:28: 50 | integer bq_ncent,i_cbq,i_qbq | ^ Warning: 'i_cbq' may be used uninitialized [-Wmaybe-uninitialized] hnd_efgmap_z4.F:50:34: 50 | integer bq_ncent,i_cbq,i_qbq | ^ Warning: 'i_qbq' may be used uninitialized [-Wmaybe-uninitialized] Compiling hnd_elfmap.F... hnd_elfmap.F:140:35: 57 | if(.not.rtdb_get(rtdb,'bqforceprint',mt_log,1,bqprint)) | 2 ...... 140 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). hnd_elfmap.F:275:44: 274 | call ecce_print1('EField components',MT_DBL,elf,3) | 2 275 | call ecce_print1('EField',MT_DBL,elfld,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hnd_elpmap.F... hnd_elpmap.F:147:35: 125 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 147 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling hnd_eldmap.F... Compiling hnd_elpiso.F... Compiling hnd_spind.F... hnd_spind.F:214:59: 136 | call ecce_print1('fermi contact',MT_DBL,aiso,1) | 2 ...... 214 | call ecce_print1('spin-dipole eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_elfcon.F... Compiling hnd_elfcon_symm.F... Compiling hnd_mtpcon.F... Compiling hnd_mtpole.F... hnd_mtpole.F:485:60: 481 | if (.not. rtdb_get(rtdb, 'prop:center', mt_int, 1, i_expan)) | 2 ...... 485 | if (.not. rtdb_get(rtdb, 'prop:center_val',mt_dbl,3,cm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_mtpole.F:938:72: 938 | do i = 1, ndens | ^ Warning: 'ndens' is used uninitialized [-Wuninitialized] hnd_mtpole.F:783:29: 783 | integer g_dens(3),ndens,nclosed(2),nopen(2),nvirt(2) | ^ note: 'ndens' was declared here Compiling prop_input.F... prop_input.F:886:43: 868 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 ...... 886 | if(.not.rtdb_put(rtdb,tag,mt_dbl,1,f3)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). prop_input.F:419:26: 419 | if (inp_f(iso)) then | 1 ...... 876 | if(.not.inp_f(f3(i))) exit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling prop.F... prop.F:59:48: 48 | if (.not.rtdb_get(rtdb,'prop:do_fockbuild',MT_LOG,1,do_fockbuild)) | 2 ...... 59 | if (rtdb_get(rtdb,'prop:nbofile',MT_INT,1,nbofile)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling prp.F... Compiling hnd_mulken.F... Compiling wnbofile.F... Compiling wefgfile.F... Compiling whypfile.F... whypfile.F:302:72: 302 | open (lfn, file=fname_hyp, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] whypfile.F:82:17: 82 | integer lfn | ^ note: 'lfn' was declared here Compiling wgshiftfile.F... wgshiftfile.F:316:72: 316 | open (lfn, file=fname_gshift, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wgshiftfile.F:85:17: 85 | integer lfn | ^ note: 'lfn' was declared here Compiling wshldfile.F... wshldfile.F:296:72: 296 | open (lfn, file=fname_shield, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] wshldfile.F:73:17: 73 | integer lfn | ^ note: 'lfn' was declared here Compiling hnd_prp_get_dens.F... Compiling hnd_prp_vec_read.F... Compiling hnd_prop_dens_make.F... Compiling hnd_property.F... hnd_property.F:96:50: 83 | if (.not. rtdb_get(rtdb, 'prop:nocheck',mt_log, 1, nocheck)) then | 2 ...... 96 | status=rtdb_get(rtdb,'prop:gshift',MT_INT,1,gshift) ! FA-09-16-10 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_property.F:188:13: 182 | & job_grid_acc))call errquit('hnd_property:rtdbput failed', | 2 ...... 188 | & .false.)) call errquit('hnd_property:rtdbput failed',2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling giaofock.F... giaofock.F:930:72: 930 | g_dens=g_dens0 | ^ Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:776:31: 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here giaofock.F:151:72: 151 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:42:33: 42 | double precision factor_cam,cam_alpha1,cam_beta1 | ^ note: 'factor_cam' was declared here giaofock.F:127:72: 127 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:23:23: 23 | integer npol,ntot | ^ note: 'ntot' was declared here giaofock.F:503:72: 503 | cam_beta1 =factor_cam*cam_beta | ^ Warning: 'factor_cam' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:388:44: 388 | & cam_alpha1,cam_beta1,factor_cam | ^ note: 'factor_cam' was declared here giaofock.F:478:72: 478 | $ ngint, dbl_mb(k_eri), tol2e, nshell, blen, 1.d0, 0.d0) ! get full coulomb | ^ Warning: 'ntot' may be used uninitialized [-Wmaybe-uninitialized] giaofock.F:366:23: 366 | integer npol,ntot | ^ note: 'ntot' was declared here Compiling hnd_giaox.F... hnd_giaox.F:287:64: 284 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 287 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_giaox.F:832:60: 830 | call ecce_print1('shielding isotropic',MT_DBL,isotr,1) | 2 831 | call ecce_print1('shielding anisotropy',MT_DBL,aniso,1) 832 | call ecce_print1('shielding eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling hnd_hyperfine_zora.F... hnd_hyperfine_zora.F:307:32: 121 | status=rtdb_get(rtdb,'prop:hypfile',mt_int,1,hypfile) ! for NLMO analysis | 2 ...... 307 | & mt_log,1,skip_cphf_ev_hyp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:324:55: 230 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 324 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_hyperfine_zora.F:591:60: 589 | call ecce_print1('hyperfine isotropic',MT_DBL,isotr,1) | 2 590 | call ecce_print1('hyperfine anisotropy',MT_DBL,aniso,1) 591 | call ecce_print1('hyperfine eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then | ^ Warning: 'ac_occ' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:49:46: 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then | ^ Warning: 'ac_occ' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:49:46: 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here hnd_hyperfine_zora.F:569:43: 569 | & skew*conv2MHz, | ^ Warning: 'conv2mhz' may be used uninitialized [-Wmaybe-uninitialized] hnd_hyperfine_zora.F:37:52: 37 | double precision a(6),axs(3,3),eig(3),conv2MHz | ^ note: 'conv2mhz' was declared here Compiling hnd_gshift_zora.F... hnd_gshift_zora.F:2750:57: 2744 | & mt_log,1,skip_csAOev)) | 2 ...... 2750 | status=rtdb_get(rtdb,'prop:shldfile' ,mt_int,1,shldfile) ! for NLMO analysis | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). hnd_gshift_zora.F:4308:19: 3123 | & vectors, ! in: MOs | 2 ...... 4308 | & g_dens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:4337:18: 3157 | & vectors, ! in: MOs | 2 ...... 4337 | & g_sdens))! in: dummy not used here | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hnd_gshift_zora.F:2151:24: 2151 | call ga_print(vectors) | 1 ...... 5992 | call ga_print(g_munuEPRdia) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:353:60: 267 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 353 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_gshift_zora.F:1141:59: 1139 | call ecce_print1('g-shifts isotropic',MT_DBL,isotr,1) | 2 1140 | call ecce_print1('g-shifts anisotropy',MT_DBL,aniso,1) 1141 | call ecce_print1('g-shifts eigenvalues',MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_gshift_zora.F:5074:34: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_coul' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5074:46: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_exch' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5074:58: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, | ^ Warning: 'val_ov_nojk' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5075:32: 5075 | & val_ov_1e,val_ov_eSji | ^ Warning: 'val_ov_1e' is used uninitialized [-Wuninitialized] hnd_gshift_zora.F:5204:72: 5204 | par_arr(9,iy,ix)=val_ov_eSji*coeffpol*ppt*(-0.25d0) | ^ Warning: 'val_ov_esji' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:5075:44: 5075 | & val_ov_1e,val_ov_eSji | ^ note: 'val_ov_esji' was declared here hnd_gshift_zora.F:2125:72: 2125 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:2058:25: 2058 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here hnd_gshift_zora.F:4939:72: 4939 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] hnd_gshift_zora.F:4881:25: 4881 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here Compiling hnd_giaox_zora.F... hnd_giaox_zora.F:352:60: 256 | & MT_INT, 1, nocc(1)-nocc(2))) | 2 ...... 352 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_giaox_zora.F:681:32: 224 | if (.not. rtdb_get(rtdb, 'dft:ipol', mt_int, 1, npol)) then | 2 ...... 681 | & mt_log,1,skip_cphf_ev_shield)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_giaox_zora.F:1072:61: 1070 | call ecce_print1('shielding isotropic' ,MT_DBL,isotr,1) | 2 1071 | call ecce_print1('shielding anisotropy' ,MT_DBL,aniso,1) 1072 | call ecce_print1('shielding eigenvalues' ,MT_DBL,eig,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling int_giao_1ega.F... int_giao_1ega.F:155:10: 155 | if (type.lt.9) then | ^ Warning: 'type' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:42:18: 42 | integer type | ^ note: 'type' declared here int_giao_1ega.F:168:72: 168 | max1e = max1e*nblocks | ^ Warning: 'nblocks' may be used uninitialized [-Wmaybe-uninitialized] int_giao_1ega.F:45:21: 45 | integer nblocks | ^ note: 'nblocks' was declared here Compiling giao_aotomo.F... Compiling hnd_diag.F... Compiling hnd_spinspin.F... hnd_spinspin.F:318:54: 310 | call ecce_print1('index atom one',MT_INT,i,1) | 2 ...... 318 | call ecce_print1('spinspin isotropic',MT_DBL,isotr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling hnd_sdfc.F... Compiling hnd_psoten.F... Compiling hnd_dsoten.F... Compiling prop_atom.F... Compiling aoresponse_driver.F... aoresponse_driver.F:215:21: 179 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 215 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). aoresponse_driver.F:942:26: 704 | if (.not.ga_destroy(g_temp)) call | 2 ...... 942 | if (.not.ga_destroy(g_vectors)) call | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling aoresponse_driver_new.F... aoresponse_driver_new.F:256:21: 215 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) | 2 ...... 256 | & mt_dbl, 1,gamwidth)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling int_mpole_1ega.F... Compiling aoresponse.F... aoresponse.F:636:58: 624 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 2 ...... 636 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aoresponse_beta.F... aoresponse_beta.F:568:58: 560 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 568 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aor_write_roadata.F... Compiling aoresponse_beta2.F... aoresponse_beta2.F:452:58: 444 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call | 2 ...... 452 | if (.not. rtdb_put(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling fiao_f1_movecs.F... fiao_f1_movecs.F:333:56: 290 | & mt_int, 1,index4cphf)) call | 2 ...... 333 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling aor_r1_tensor.F... aor_r1_tensor.F:313:72: 313 | & g_temp) ! in : scratch GA array | ^ Warning: 'coeffim' may be used uninitialized [-Wmaybe-uninitialized] aor_r1_tensor.F:128:52: 128 | double precision ga_trace_diag,coeffre,coeffim | ^ note: 'coeffim' was declared here Compiling aor_r1_tensor_giao.F... Compiling aor_r1_beta.F... Compiling aor_r1_beta_anl.F... Compiling giao_b1_movecs.F... giao_b1_movecs.F:355:26: 217 | & mt_int, 1,ndata)) call | 2 ...... 355 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling fiao_b1_movecs.F... fiao_b1_movecs.F:217:26: 159 | & mt_int, 1,ndata)) call | 2 ...... 217 | & mt_log, 1,.true.)) call | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling get_vecB1.F... Compiling get_vecF1.F... Compiling aor_get_fiaoints.F... Compiling aor_get_giaoints.F... aor_get_giaoints.F:269:61: 264 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 269 | if (.not. rtdb_put(rtdb,'fock_xc:calc_type',mt_int,1,ifld)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling aoresponse_giao_rhs.F... aoresponse_giao_rhs.F:294:64: 291 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) | 2 ...... 294 | if(.not. rtdb_put(rtdb,'fock_xc:calc_type', MT_INT, 1, 2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling get_alfaorbeta_reim.F... get_alfaorbeta_reim.F:405:72: 405 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:25: 367 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:411:72: 411 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:367:30: 367 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here get_alfaorbeta_reim.F:241:72: 241 | ahi(3) = ind1 | ^ Warning: 'ind1' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:25: 206 | & caseAO,ind1,ind2 | ^ note: 'ind1' was declared here get_alfaorbeta_reim.F:247:72: 247 | bhi(3) = ind2 | ^ Warning: 'ind2' may be used uninitialized [-Wmaybe-uninitialized] get_alfaorbeta_reim.F:206:30: 206 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here Compiling CalcPerturbedTDPmat1.F... Compiling CalcPerturbedTDPmat1_opt.F... Compiling localization_driver.F... localization_driver.F:496:53: 301 | $ 1.0d0, g_smat, g_movecs(ispin), 0.0d0, g_sc) | 2 ...... 496 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs, g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) localization_driver.F:542:53: 301 | $ 1.0d0, g_smat, g_movecs(ispin), 0.0d0, g_sc) | 2 ...... 542 | call ga_dgemm('t','n',nmo,nmo,nbf, 1.0d0, g_movecs,g_uc(i), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ibo_localization.F... ibo_localization.F:633:9: 633 | if(noff+n1 > nbf) call errquit (pname// | ^ Warning: 'noff' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:33: 66 | integer n1, n2, nsing, noff | ^ note: 'noff' declared here ibo_localization.F:633:9: 633 | if(noff+n1 > nbf) call errquit (pname// | ^ Warning: 'n1' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:16: 66 | integer n1, n2, nsing, noff | ^ note: 'n1' declared here ibo_localization.F:643:72: 643 | do jmo = 1,n2 | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] ibo_localization.F:66:20: 66 | integer n1, n2, nsing, noff | ^ note: 'n2' declared here Compiling pm_localization.F... Compiling hnd_vec_write.F... Compiling giao_b1_movecs_tools.F... giao_b1_movecs_tools.F:78:60: 78 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .false.)) | 1 ...... 758 | $ calc_type_save)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling aor_r1_beta_anl_tools.F... Compiling task_raman.F... task_raman.F:525:51: 487 | & rmmodes*4, rminfo(1,1))) | 2 ...... 525 | status=rtdb_get(rtdb,'raman:aores0',mt_log,1,ramanspc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_raman.F:1268:14: 718 | if (.not. rtdb_put(rtdb,'raman:aores1',mt_int, 1,ii)) call ! FA-06-18-12 | 2 ...... 1268 | $ gamwidth_in)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). task_raman.F:320:10: 320 | if (response_order.gt.1) | ^ Warning: 'response_order' may be used uninitialized [-Wmaybe-uninitialized] task_raman.F:44:47: 44 | integer nfreq, l_fr, k_fr, response_order, i, first, last | ^ note: 'response_order' declared here Compiling raman_input.F... raman_input.F:93:58: 71 | if (.not.rtdb_put(rtdb, 'prop:newaoresp', mt_int, 1,1)) | 2 ...... 93 | if (.not.rtdb_put(rtdb,'raman:hyperraman',mt_log,1,hyperraman)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling raman.F... raman.F:576:61: 375 | if (.not. rtdb_get(rtdb, 'raman:numpts ', mt_int,1 , numpts)) | 2 ...... 576 | if (.not. rtdb_get(rtdb, 'raman:alfare ', mt_dbl, 9, alfare)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). raman.F:1164:31: 741 | 10 call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) ! Propagate status | 2 ...... 1164 | call ga_brdcst(msg_frq,dbl_mb(k_scr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling waimfile.F... waimfile.F:618:61: 335 | if (.not. rtdb_get(rtdb, 'prop:nowfx',mt_log, 1, nowfx)) | 2 ...... 618 | $ , MT_DBL,1,etot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling hnd_eldmap_grid.F... hnd_eldmap_grid.F:111:35: 94 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) | 2 ...... 111 | > 3*nprp,dbl_mb(i_prp_c))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling prop_moldenfile.F... Compiling prop_grid.F... prop_grid.F:38:55: 27 | if(.not.rtdb_get(rtdb,'prop:grid:pad',MT_DBL,3,pad)) then | 2 ...... 38 | if(.not.rtdb_get(rtdb,'prop:grid:ngrid',MT_INT,3,ngrid)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling prop_polfromsos.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/property' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/property' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libproperty.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libproperty.a hnd_efgmap.o hnd_efgmap_z4.o hnd_elfmap.o hnd_elpmap.o hnd_eldmap.o hnd_elpiso.o hnd_spind.o hnd_elfcon.o hnd_elfcon_symm.o hnd_mtpcon.o hnd_mtpole.o prop_input.o prop.o prp.o hnd_mulken.o wnbofile.o wefgfile.o whypfile.o wgshiftfile.o wshldfile.o hnd_prp_get_dens.o hnd_prp_vec_read.o hnd_prop_dens_make.o hnd_property.o giaofock.o hnd_giaox.o hnd_hyperfine_zora.o hnd_gshift_zora.o hnd_giaox_zora.o int_giao_1ega.o giao_aotomo.o hnd_diag.o hnd_spinspin.o hnd_sdfc.o hnd_psoten.o hnd_dsoten.o prop_atom.o aoresponse_driver.o aoresponse_driver_new.o int_mpole_1ega.o aoresponse.o aoresponse_beta.o aor_write_roadata.o aoresponse_beta2.o fiao_f1_movecs.o aor_r1_tensor.o aor_r1_tensor_giao.o aor_r1_beta.o aor_r1_beta_anl.o giao_b1_movecs.o fiao_b1_movecs.o get_vecB1.o get_vecF1.o aor_get_fiaoints.o aor_get_giaoints.o aoresponse_giao_rhs.o get_alfaorbeta_reim.o CalcPerturbedTDPmat1.o CalcPerturbedTDPmat1_opt.o localization_driver.o ibo_localization.o pm_localization.o hnd_vec_write.o giao_b1_movecs_tools.o aor_r1_beta_anl_tools.o task_raman.o raman_input.o raman.o waimfile.o hnd_eldmap_grid.o prop_moldenfile.o prop_grid.o prop_polfromsos.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libproperty.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libproperty.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libproperty.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/property' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/property' Making libraries in solvation gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/solvation' Compiling mnsol_mem.F... Compiling mnsol_interface.F... mnsol_interface.F:62:58: 54 | if (.not. rtdb_put(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) | 2 ...... 62 | if (.not. rtdb_put(rtdb, 'cosmo:dcds', mt_dbl,3*nat,dcds)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mnsol.F... mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'nc' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'lab' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'ncnct' at (1); passed REAL(8) to INTEGER(8) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) | 1 Warning: Type mismatch in argument 'conect' at (1); passed REAL(8) to LOGICAL(8) mnsol.F:1436:31: 1436 | IF (LGRX) CALL SCOPYMN(3,0D0,0,DAREA(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1562:42: 1562 | IF (LGRX) CALL SCOPYMN(3*(NCROSS+1),0D0,0,DCASLC(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1785:43: 1785 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAPLY(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:1788:43: 1788 | IF (LGRX) CALL SCOPYMN (3*(NCROSS+1),0D0,0,DCAODD(1,0),1) | 1 Warning: Rank mismatch in argument 'dx' at (1) (rank-1 and scalar) mnsol.F:56:19: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'c' at (1) (rank-2 and scalar) mnsol.F:56:21: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'dcds' at (1) (rank-2 and scalar) mnsol.F:56:26: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'ian' at (1) (rank-1 and scalar) mnsol.F:56:52: 56 | CALL CDSCALC(C,DCDS,IAN,ICDS,NAT,GCDS,AREACDS,X, | 1 Warning: Rank mismatch in argument 'x' at (1) (rank-1 and scalar) Compiling solv_data.F... Compiling cosmo_smd_output.F... Compiling cosmo_vem_output.F... Compiling cosmo_lebedev.F... Compiling cosmo_fibonacci.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/solvation' Compiling cosmo_input.F... cosmo_input.F:181:51: 177 | $ rtdb_put(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 181 | $ rtdb_put(rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cosmo_initialize.F... cosmo_initialize.F:165:34: 163 | call ga_brdcst(msg_cosmo0,nmap, | 2 164 | > ma_sizeof(mt_int,1,mt_byte),0) 165 | call ga_brdcst(msg_cosmo1,crad, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cosmo_initialize.F:278:41: 255 | if(.not.rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 2 ...... 278 | O 'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cosmo_initialize.F:390:52: 171 | if(.not.rtdb_put(rtdb,'cosmo:crad',mt_dbl, nmap,crad(1))) | 2 ...... 390 | if (.not. rtdb_put(rtdb,'cosmo:icds',mt_int,1,icds)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cosmo_initialize.F:475:54: 255 | if(.not.rtdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 2 ...... 475 | $ rtdb_get(rtdb,'cosmo:pol_cosmo_vem',mt_dbl,2,pol_cosmo_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cosmo_tidy.F... Compiling cosmo_def_radii.F... cosmo_def_radii.F:271:52: 265 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 2 ...... 271 | $ status = rtdb_get(rtdb,'cosmo:sola',mt_dbl,1,sola) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling cosmo_charges.F... cosmo_charges.F:102:55: 83 | if(.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 102 | if(.not.rtdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cosmo_charges.F:346:72: 346 | do i = 1, ndens | ^ Warning: 'ndens' may be used uninitialized [-Wmaybe-uninitialized] cosmo_charges.F:263:19: 263 | integer ndens,nvirt(2) | ^ note: 'ndens' declared here Compiling grad_hnd_cos.F... grad_hnd_cos.F:197:23: 188 | $ dbl_mb(k_rad)) | 2 ...... 197 | $ int_mb(k_efciat))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). grad_hnd_cos.F:419:72: 419 | $ *cosff((rr-rin(iat1))/(rout(iat1)-rin(iat1)))) | ^ Warning: 'zeta1' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:131:28: 131 | double precision zeta1, zeta2, zeta12 | ^ note: 'zeta1' was declared here grad_hnd_cos.F:491:72: 491 | dE = dz * fact | ^ Warning: 'fact' may be used uninitialized [-Wmaybe-uninitialized] grad_hnd_cos.F:129:37: 129 | double precision dE, qfac, fact, dx, dy, dz, rr | ^ note: 'fact' was declared here Compiling hnd_cosmo_lib.F... hnd_cosmo_lib.F:897:55: 894 | if(.not.rtdb_put(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) | 2 ...... 897 | if(.not.rtdb_put(rtdb,'cosmo:efcc',mt_dbl,3*nefc,dbl_mb(k_efcc))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_cosmo_lib.F:612:32: 612 | $ iangleb.lt.1.and.fibonacci.lt.1) then | ^ Warning: 'dbug' may be used uninitialized [-Wmaybe-uninitialized] hnd_cosmo_lib.F:402:22: 402 | logical dbug | ^ note: 'dbug' was declared here hnd_cosmo_lib.F:809:72: 809 | dbl_mb(k_efczz+ief-1) =zetai | ^ Warning: 'zetai' may be used uninitialized [-Wmaybe-uninitialized] hnd_cosmo_lib.F:433:56: 433 | double precision ratm_real,dij,dum,cavdsp,pi,zetai,zetaii | ^ note: 'zetai' was declared here Compiling hnd_coschg.F... hnd_coschg.F:619:43: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 619 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). hnd_coschg.F:640:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 640 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:936:17: 930 | if (.not.rtdb_put(rtdb,'cosmo:n_raw',mt_int,1,nefc)) | 2 ...... 936 | d dbl_mb(i20))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hnd_coschg.F:1223:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 1223 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:1227:53: 930 | if (.not.rtdb_put(rtdb,'cosmo:n_raw',mt_int,1,nefc)) | 2 ...... 1227 | if(.not.rtdb_put(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hnd_coschg.F:1295:52: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) | 2 ...... 1295 | if(.not.rtdb_get(rtdb,'cosmo:g_vem',mt_int,3,g_vem)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cosmo_thomson.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/solvation' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/solvation' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libsolvation.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libsolvation.a mnsol_mem.o mnsol_interface.o mnsol.o solv_data.o cosmo_smd_output.o cosmo_vem_output.o cosmo_lebedev.o cosmo_fibonacci.o cosmo_input.o cosmo_initialize.o cosmo_tidy.o cosmo_def_radii.o cosmo_charges.o grad_hnd_cos.o hnd_cosmo_lib.o hnd_coschg.o cosmo_thomson.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libsolvation.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libsolvation.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libsolvation.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/solvation' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/solvation' Making libraries in nwpw gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Compiling nwpw_input.F... nwpw_input.F:436:53: 349 | 1510 if (.not.rtdb_put(rtdb,'pspw_qmmm_auxon',mt_log,1,.true.)) | 2 ...... 436 | value = rtdb_put(rtdb,'band:dos-grid',mt_int,3,cell_expand) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nwpw_input.F:1467:33: 1462 | > mt_int,2,loop)) then | 2 ...... 1467 | > mt_dbl,1,ff)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpw_input.F:1475:33: 1462 | > mt_int,2,loop)) then | 2 ...... 1475 | > mt_int,1,nz)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1631:62: 1462 | > mt_int,2,loop)) then | 2 ...... 1631 | if (.not.rtdb_get(rtdb,'nwpw:pspspin_count',mt_int,1,nz)) nz=0 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_input.F:1784:56: 1462 | > mt_int,2,loop)) then | 2 ...... 1784 | if (.not.rtdb_get(rtdb,'nwpw:nuterms',mt_int,1,nuterms)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling nwpw_default.F... nwpw_default.F:165:54: 151 | > frac_coord) | 2 ...... 165 | > btdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nwpw_vectors_input.F... nwpw_vectors_input.F:243:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 243 | if (.not. rtdb_put(rtdb, test, mt_int, 1, nfrag)) call errquit | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_vectors_input.F:262:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) | 2 ...... 262 | if (.not. rtdb_put(rtdb, test, MT_LOG, 1, olock)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Making all in nwpwlib gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib' Making all in Parallel gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' Compiling Parallel.F... Parallel.F:808:19: 626 | call ycopy(n,a,1,b,1) | 2 ...... 808 | call ycopy(n,0.0d0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:866:19: 685 | call scopy(n,a,1,b,1) | 2 ...... 866 | call scopy(n,0.0,0,b,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Parallel.F:931:23: 626 | call ycopy(n,a,1,b,1) | 2 ...... 931 | call ycopy(n1,0.0d0,0,c(1,j),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling Parallel-mpi.F... Parallel-mpi.F:1342:72: 1342 | call stupid_icopy8to4(nreq,req,int_mb(request2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:210:72: 210 | call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:221:72: 221 | call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:387:72: 387 | call stupid_icopy8to4(np_i,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:401:72: 401 | call stupid_icopy8to4(np_j,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:414:72: 414 | call stupid_icopy8to4(np_k,int_mb(tmp(1)),int_mb(tmp2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:584:28: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 584 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:584:34: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 584 | call MPI_Allreduce(isum2,isumall,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:782:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 782 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:782:39: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 782 | call MPI_Allreduce(sum,sumall(1),msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:783:22: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 783 | > MPI_DOUBLE_PRECISION, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:22: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:30: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:784:41: 546 | > stupid_max,stupid_world,stupid_ierr) | 2 ...... 784 | > MPI_SUM,comm_world,mpierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Parallel-mpi.F:819:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 819 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:819:30: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 819 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:822:19: 785 | call ycopy(n,sumall(1),1,sum,1) | 2 ...... 822 | call ycopy(n,sumall,1,sum0,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Parallel-mpi.F:872:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 872 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:917:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 917 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:917:30: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 917 | call MPI_Allreduce(sum0,sumall,msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:973:72: 973 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:978:72: 978 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1071:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1071 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1117:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1117 | call MPI_Bcast(isum4,stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). Parallel-mpi.F:1169:72: 1169 | call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1172:72: 1172 | call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1267:72: 1267 | call stupid_icopy8to4(nreq,req,int_mb(request2(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1616:25: 545 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 1616 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1683:72: 1683 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1688:72: 1688 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1785:24: 1026 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 2 ...... 1785 | call MPI_Bcast(sum,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Parallel-mpi.F:1889:72: 1889 | call stupid_icopy8to4(nsize,isum,int_mb(sumall(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:1892:72: 1892 | call stupid_icopy4to8(nsize,int_mb(sumall(1)),isum) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2106:27: 1975 | call MPI_IRECV(A2, | 2 ...... 2106 | call MPI_IRECV(IA2, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2124:27: 1991 | call MPI_ISEND(A1, | 2 ...... 2124 | call MPI_ISEND(IA1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2264:72: 2264 | call stupid_icopy8to4(nsize,ival,int_mb(ival4(1))) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) Parallel-mpi.F:2268:20: 2225 | call MPI_SEND(rval,stupid_msglen,stupid_double, | 2 ...... 2268 | call MPI_SEND(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2399:20: 2348 | call MPI_RECV(rval,stupid_msglen,stupid_double, | 2 ...... 2399 | call MPI_RECV(int_mb(ival4(1)),stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Parallel-mpi.F:2403:72: 2403 | call stupid_icopy4to8(nsize,int_mb(ival4(1)),ival) | 1 Warning: Type mismatch in argument 'array4' at (1); passed INTEGER(8) to INTEGER(4) gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a Parallel.o Parallel-mpi.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Parallel' Making all in D1dB gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' Compiling D1dB.F... Compiling Dne.F... Dne.F:3216:22: 1027 | > Ain(shift), 2*npack1, | 2 ...... 3216 | > A(shift2), n, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:3219:22: 1030 | > Aout(shift),2*npack1) | 2 ...... 3219 | > C(shift2), n) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2996:19: 1210 | > A1(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2996 | > A(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2999:19: 1213 | > A2(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 2999 | > B(shift2),mcq(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1086:19: 1086 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3181 | > A(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1093:19: 1093 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 1 ...... 3188 | > C(shift2),mcq(ms), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1686:68: 1686 | call Parallel_shared_vector_zero(.true.,2*(ne(1)+ne(2)),eig) | 1 ...... 5307 | call Parallel_shared_vector_zero(.true.,nall,B) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1787:47: 1787 | call ycopy(2*(ne(1)+ne(2)),0.0d0,0,eig,1) | 1 ...... 1925 | call ycopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1814:39: 1814 | call ycopy(2*ne(ms)*ne(ms),hml(shift1),1,dbl_mb(tmp1(1)),1) | 1 ...... 1925 | call ycopy(mcq(ms)*ncq(ms),dbl_mb(Q(1)),1,hml(shift2),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:1816:23: 1722 | > dcpl_mb(tmp1(1)),ne(ms), | 2 ...... 1816 | > dbl_mb(tmp1(1)),ne(ms), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1818:23: 1724 | > U(shift2),ne(ms), | 2 ...... 1818 | > dbl_mb(tmp2(1)),1,dbl_mb(tmp2(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1818:41: 1725 | > V(shift2),ne(ms), | 2 ...... 1818 | > dbl_mb(tmp2(1)),1,dbl_mb(tmp2(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:1819:23: 1726 | > dcpl_mb(tmp4(1)),2*ne(1)*ne(1), | 2 ...... 1819 | > dbl_mb(tmp2(1)),2*ne(1)*ne(1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:2300:56: 2152 | call dscal_omp(n2ft3d,(1.0d0/L(indx0)),A(1,q),1) | 2 ...... 2300 | call DSCAL_OMP(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:2421:52: 2218 | call yscal(ne(ms),sum,U(shift),1) | 2 ...... 2421 | call yscal(2*npack1,dbl_mb(tmp2(1)+n-1),U(shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne.F:4237:49: 1719 | > hml(shift1),dcpl_mb(tmp1(1))) | 2 ...... 4237 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:4237:51: 1719 | > hml(shift1),dcpl_mb(tmp1(1))) | 2 ...... 4237 | call Parallel_shared_vector_copy(.true.,nn,A,A0(shift2)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:5396:46: 5216 | > call D1dB_Brdcst_values(kcur,2*npack1,dcpl_mb(A(1))) | 2 ...... 5396 | call D1dB_Brdcst_values(kcur,1,RRM) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:6684:22: 4975 | > A(shift2), | 2 ...... 6684 | > m2cq(ms),int_mb(m2c(1,ms)),int_mb(n2c(1,ms)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Dne.F:7822:22: 948 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7822 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7829:22: 955 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7829 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7844:22: 990 | > Ain(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7844 | > Ain(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7851:22: 997 | > Aout(shift),int_mb(ma(1,ms)+taskid_i), | 2 ...... 7851 | > Aout(shift),int_mb(ma2(1,ms)+taskid_i), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Dne.F:7243:72: 7243 | > 'work1in',work1in(2),work1in(1)) | ^ Warning: 'mcin' may be used uninitialized [-Wmaybe-uninitialized] Dne.F:7198:23: 7198 | integer mcin(2,NBLOCKS),ncin(2,NBLOCKS) | ^ note: 'mcin' declared here Compiling Dnex.F... Compiling skew.F... Compiling Dne_omp.F... Dne_omp.F:595:19: 428 | > A(shift2), n, | 2 ...... 595 | > Ain(shift+mstart), 2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Dne_omp.F:598:19: 431 | > C(shift2), n) | 2 ...... 598 | > Aout(shift+mstart),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling D1dB-mpi.F... D1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling D1dBs-mpi.F... D1dBs-mpi.F:142:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_real, | 2 ...... 142 | call MPI_Allreduce(sum,real_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a D1dB.o Dne.o Dnex.o skew.o Dne_omp.o D1dB-mpi.o D1dBs-mpi.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D1dB' Making all in D3dB gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' Compiling D3dB-new.F... D3dB-new.F:1019:61: 993 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 2 ...... 1019 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1080:61: 1053 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1080 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1080:63: 1053 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 1080 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1709:72: 1709 | call cshift1_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1718:72: 1718 | call zeroend_fftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1804:72: 1804 | call cshift1_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1810:72: 1810 | call zeroend_fftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:1839:31: 1714 | call drfftb(nx(nb),A(indx),dcpl_mb(tmpx(1,nb))) | 2 ...... 1839 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:1856:31: 1601 | call dcfftb(nz(nb),dcpl_mb(tmp2(1)),dcpl_mb(tmpz(1,nb))) | 2 ...... 1856 | call dcfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2249:72: 2249 | call cshift_fftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2409:72: 2409 | call cshift_fftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) D3dB-new.F:2491:31: 2247 | call drfftf(nx(nb),A((j-1)*nxh+1),dcpl_mb(tmpx(1,nb)+offset)) | 2 ...... 2491 | call drfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-new.F:2508:31: 2304 | > dcpl_mb(tmpy(1,nb)+offset)) | 2 ...... 2508 | call dcfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling D3dBs-new.F... D3dBs-new.F:41:62: 18 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) | 2 ...... 41 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:96:62: 71 | call Parallel_shared_vector_scopy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 96 | call Parallel_shared_vector_scopy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:96:64: 71 | call Parallel_shared_vector_scopy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 96 | call Parallel_shared_vector_scopy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:573:72: 573 | call cshift1_sfftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:582:72: 582 | call zeroend_sfftb(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:641:72: 641 | call cshift1_sfftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:647:72: 647 | call zeroend_sfftb(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:673:31: 578 | call srfftb(nx(nb),A(indx),scpl_mb(tmpx(1,nb))) | 2 ...... 673 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:686:31: 513 | call scfftb(nz(nb),scpl_mb(tmp2(1)),scpl_mb(tmpz(1,nb))) | 2 ...... 686 | call scfftb(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:852:72: 852 | call cshift_sfftf(nx(nb),ny(nb),nq(nb),1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:956:72: 956 | call cshift_sfftf(nx(nb),nq1(nb),1,1,A) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(4) to REAL(4) D3dBs-new.F:1015:31: 850 | call srfftf(nx(nb),A((j-1)*nxh+1),scpl_mb(tmpx(1,nb)+offset)) | 2 ...... 1015 | call srfftf(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-new.F:1028:31: 879 | > scpl_mb(tmpy(1,nb)+offset)) | 2 ...... 1028 | call scfftf(ny,A(1,i),tmpy) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). Compiling generate_map_indexes.F... Compiling hilbert.c... hilbert.c:137:15: warning: variable 'direction' set but not used [-Wunused-but-set-variable] 137 | int start,direction; | ^ 1 warning generated. Compiling hcurve.c... Compiling olist.c... Compiling trans.F... Compiling D3dB_pfft.F... D3dB_pfft.F:4018:35: 3762 | call ycopy((nx(id)+2)*ny(id)*nq(id),tmp2,1,tmp1,1) | 2 ...... 4018 | call ycopy(4*nfft3d(1)*aqmax,0.0d0,0,dcpl_mb(atmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2615:24: 2615 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2615:31: 2615 | call drfftf(nx,A(1,i),tmpx) | 1 ...... 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2953:27: 2953 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:2953:34: 2953 | call dcfftf(ny,A(1,i),tmpy) | 1 ...... 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3468:27: 3468 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3468:34: 3468 | call dcfftb(nz,A(1,i),tmpz) | 1 ...... 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3828:24: 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB_pfft.F:3828:31: 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) | 2 ...... 3828 | call drfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling D3dBs_pfft.F... D3dBs_pfft.F:972:24: 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... 1046 | call srfftf(nx(id),tmp1(indx),scpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:972:31: 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... 1046 | call srfftf(nx(id),tmp1(indx),scpl_mb(tmpx(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1257:27: 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... 1345 | call scfftf(nz(id),tmp1,scpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1257:34: 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... 1345 | call scfftf(nz(id),tmp1,scpl_mb(tmpz(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1694:27: 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... 1780 | call scfftb(ny(id),tmp1,scpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1694:34: 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... 1780 | call scfftb(ny(id),tmp1,scpl_mb(tmpy(1,id))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1987:24: 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... 1987 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs_pfft.F:1987:31: 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... 1987 | call srfftb(nx,A(1,i),tmpx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). Compiling D3dB-mpi.F... D3dB-mpi.F:502:27: 502 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 ...... 692 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:534:26: 534 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 ...... 724 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:881:28: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 881 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:881:40: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 881 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). D3dB-mpi.F:946:25: 793 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 946 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) D3dB-mpi.F:1127:17: 669 | call ycopy(msglen,tmp1(int_mb(h_i1_start(1,op,nb))),1, | 2 ...... 1127 | > tmp1(int_mb(i1_start(1,nbb)+1-1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:1128:17: 670 | > tmp2(int_mb(h_i2_start(1,op,nb))),1) | 2 ...... 1128 | > tmp2(int_mb(i2_start(1,nbb)+1-1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). D3dB-mpi.F:3257:29: 2766 | call dread(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 3257 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3312:29: 2814 | call MPI_RECV(tmp, | 2 ...... 3312 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:3901:72: 3901 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:3901:72: 3901 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4141:72: 4141 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4141:72: 4141 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:4858:30: 4271 | call dwrite(iunit,tmp,(nx(nb)+2)*ny(nb)) | 2 ...... 4858 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:5162:72: 5162 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:5162:72: 5162 | > dcpl_mb(tmp2(1))) !*** map3to1 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) D3dB-mpi.F:6107:21: 478 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 6107 | > tmp1(int_mb(ic1_start(1)+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6108:21: 479 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 6108 | > tmp2(int_mb(ic2_start(1)+1-1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). D3dB-mpi.F:6984:26: 693 | > stupid_msglen,stupid_double, | 2 ...... 6984 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dB-mpi.F:7037:27: 1621 | call MPI_ISEND(A(indx), | 2 ...... 7037 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/COMPLEX(8)). D3dB-mpi.F:7038:27: 1622 | > stupid_msglen,stupid_complex, | 2 ...... 7038 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). Compiling D3dBs-mpi.F... D3dBs-mpi.F:663:24: 90 | > tmp1(int_mb(i1_start(1,nb)+1-1)), | 2 ...... 663 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:664:24: 91 | > tmp2(int_mb(i2_start(1,nb)+1-1))) | 2 ...... 664 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:686:27: 114 | call MPI_IRECV(tmp2(int_mb(i2_start(1,nb)+it+1-1)), | 2 ...... 686 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:718:26: 146 | call MPI_SEND(tmp1(int_mb(i1_start(1,nb)+it+1-1)), | 2 ...... 718 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dBs-mpi.F:3286:26: 115 | > stupid_msglen,stupid_scomplex, | 2 ...... 3286 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dBs-mpi.F:3339:27: 1338 | call MPI_ISEND(A(indx), | 2 ...... 3339 | call MPI_ISEND(int_mb(c_iq_to_i2+int_mb(i1_start+it+1-1)-1), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/COMPLEX(4)). D3dBs-mpi.F:3340:27: 1339 | > stupid_msglen,stupid_scomplex, | 2 ...... 3340 | > 2*stupid_msglen,stupid_integer, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)). D3dBs-mpi.F:5218:25: 5120 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_real, | 2 ...... 5218 | call MPI_Allreduce(sum,real_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a D3dB-new.o D3dBs-new.o generate_map_indexes.o hilbert.o hcurve.o olist.o trans.o D3dB_pfft.o D3dBs_pfft.o D3dB-mpi.o D3dBs-mpi.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/D3dB' Making all in Pneb gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' Compiling Pneb.F... Pneb.F:2045:55: 2044 | call Parallela_Brdcst_values(1,MASTER,2*(vindex-1),V) | 2 2045 | call Parallela_Brdcst_values(1,MASTER,(sindex-1),S) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1589:54: 1589 | if (np.gt.1) call C3dB_Vector_SumAll(2*nsize,hml) | 1 ...... 3223 | if (np.gt.1) call C3dB_Vector_SumAll(nsize,hml) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:4542:51: 1097 | call Parallel_shared_vector_zero(.true.,2*nsize,w) | 2 ...... 4542 | call Parallel_shared_vector_zero(.true.,nall,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:4550:35: 4518 | call C1dB_Vector_SumAll(2*nall,B) | 2 ...... 4550 | call C1dB_Vector_SumAll(nall,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:1268:72: 1268 | > dcpl_mb(mat_tmp(1)),hml) | 1 Warning: Type mismatch in argument 'a' at (1); passed COMPLEX(8) to REAL(8) Pneb.F:2564:26: 1913 | call ycopy(2*nsize,hml,1,gml,1) | 2 ...... 2564 | call ycopy(2*nbrill,0.0d0,0,dbl_mb(sm2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2564:34: 1913 | call ycopy(2*nsize,hml,1,gml,1) | 2 ...... 2564 | call ycopy(2*nbrill,0.0d0,0,dbl_mb(sm2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2576:72: 2576 | > sum2) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2576:72: 2576 | > sum2) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2576:31: 2576 | > sum2) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2579:72: 2579 | call Pneb_makeOrtho(ms,nbq,npack1,dbl_mb(a_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:72: 2583 | > sum3) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:72: 2583 | > sum3) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:2583:31: 2583 | > sum3) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:2834:35: 2834 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 4495 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:2834:51: 2834 | call Cram_cc_zdot(nb,dbl_mb(index11),dbl_mb(index21),wc1) | 1 ...... 4495 | call Cram_cc_zdot(nbq,Y(indx), Y(indx2),z1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:3125:72: 3125 | > tmp) | 1 Warning: Type mismatch in argument 'y1' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3125:72: 3125 | > tmp) | 1 Warning: Type mismatch in argument 'y2' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:3125:29: 3125 | > tmp) | 1 Warning: Rank mismatch in argument 'hml' at (1) (rank-1 and scalar) Pneb.F:4472:72: 4472 | > dbl_mb(svec_shift)) | 1 Warning: Type mismatch in argument 'y' at (1); passed REAL(8) to COMPLEX(8) Pneb.F:5272:60: 5272 | > nbsize*4*(ne(1)*ne(1)+ne(2)*ne(2)),C) | 1 ...... 5416 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),C) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:5600:30: 1886 | call dscal_omp(2*nsize,alpha,hml,1) | 2 ...... 5600 | call DSCAL_OMP(nn,alpha,M,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Pneb.F:5817:64: 1970 | call Parallel_shared_vector_copy(.true.,2*nsize,hml,gml) | 2 ...... 5817 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),K,U) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:5817:66: 1970 | call Parallel_shared_vector_copy(.true.,2*nsize,hml,gml) | 2 ...... 5817 | > nbsize*8*(ne(1)*ne(1)+ne(2)*ne(2)),K,U) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Pneb.F:5524:17: 5524 | real*8 sum | ^ Warning: 'sum' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5824:72: 5824 | shift1 = 1 + (ms-1)*ishift1 + (nb-1)*ishift3 | ^ Warning: 'ishift3' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5770:32: 5770 | integer nb,nb1,nb2,ishift3,ishift4,nbsize,nn,i | ^ note: 'ishift3' was declared here Pneb.F:5896:72: 5896 | shift1 = 1 + (ms-1)*ishift1 + (nb-1)*ishift3 | ^ Warning: 'ishift3' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5867:32: 5867 | integer nb,nb1,nb2,ishift3,ishift4 | ^ note: 'ishift3' was declared here Pneb.F:5979:72: 5979 | > 4*ne(ms)*ne(ms)*nbsize,A) | ^ Warning: 'ms' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:5950:16: 5950 | integer ms,ms1,ms2,shift2,ishift2,k | ^ note: 'ms' was declared here Pneb.F:6042:72: 6042 | > 8*ne(ms)*ne(ms)*nbsize,A) | ^ Warning: 'ms' may be used uninitialized [-Wmaybe-uninitialized] Pneb.F:6013:16: 6013 | integer ms,ms1,ms2,shift2,ishift2,k | ^ note: 'ms' was declared here gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a Pneb.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' Making all in K1dB gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' Compiling K1dB.F... Compiling K1dB-mpi.F... K1dB-mpi.F:73:27: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:73:39: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 73 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). K1dB-mpi.F:209:28: 30 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 209 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a K1dB.o K1dB-mpi.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/K1dB' Making all in C1dB gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' Compiling C1dB.F... Compiling C1dB-mpi.F... C1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C1dB-mpi.F:86:39: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 86 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C1dB-mpi.F:234:25: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 234 | call MPI_Allreduce(sum,dbl_mb(sumall(1)),stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C1dB-mpi.F:300:32: 174 | call stupid_icopy8to4(1,isum,iisum) | 2 ...... 300 | call stupid_icopy8to4(n,sum,int_mb(sumall1(1))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C1dB-mpi.F:305:48: 177 | call stupid_icopy4to8(1,isumall,isum) | 2 ...... 305 | call stupid_icopy4to8(n,int_mb(sumall(1)),sum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a C1dB.o C1dB-mpi.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C1dB' Making all in C3dB gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' Compiling C3dB-new.F... C3dB-new.F:841:61: 828 | call Parallel_shared_vector_zero(.true.,2*nfft3d_map(nb),A) | 2 ...... 841 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:873:61: 861 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 873 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:873:63: 861 | call Parallel_shared_vector_copy(.true.,2*nfft3d_map(nb),A,B) | 2 ...... 873 | call Parallel_shared_vector_copy(.true.,n2ft3d_map(nb),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-new.F:2037:35: 2011 | call RCV(9+MSGDBL,tmp(k),mdtob(msglen),rcv_len, | 2 ...... 2037 | call RCV(9+MSGINT,idum,mitob(msglen),rcv_len, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). C3dB-new.F:2039:35: 2010 | call SND(9+MSGINT,idum,mitob(msglen),source,1) | 2 ...... 2039 | call SND(9+MSGDBL,tmp,mdtob(msglen),dest,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). C3dB-new.F:3409:39: 3348 | call C3dB_Vector_SumAll(2,suma) | 2 ...... 3409 | call C3dB_Vector_SumAll(nn*ne,sumall) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_trans.F... Compiling C3dB_pfft.F... Compiling C3dB-mpi.F... C3dB-mpi.F:688:24: 492 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 2 ...... 688 | > tmp1(int_mb(h_i1_start(1,op,nb))), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:689:24: 493 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 2 ...... 689 | > tmp2(int_mb(h_i2_start(1,op,nb)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:713:27: 517 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 2 ...... 713 | call MPI_IRECV(tmp2(int_mb(h_i2_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:745:26: 549 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 2 ...... 745 | call MPI_SEND(tmp1(int_mb(h_i1_start(1,op,nb)+it+1-1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:909:28: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 909 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:909:40: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 909 | call MPI_Allreduce(stupid_tsum,stupid_tsum2,stupid_msglen, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). C3dB-mpi.F:972:25: 819 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, | 2 ...... 972 | call MPI_Allreduce(sum,dbl_mb(sumall(1)), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) C3dB-mpi.F:2881:29: 2605 | call dread(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 2881 | call dread(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:2928:29: 2653 | call MPI_RECV(tmp, | 2 ...... 2928 | call MPI_RECV(tmp, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). C3dB-mpi.F:3035:72: 3035 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3035:72: 3035 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3576:72: 3576 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp1' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:3576:72: 3576 | > dcpl_mb(tmp2(1))) !*** map1to3 operation *** | 1 Warning: Type mismatch in argument 'tmp2' at (1); passed COMPLEX(8) to REAL(8) C3dB-mpi.F:4296:30: 3709 | call dwrite(iunit,tmp,2*nx(nb)*ny(nb)) | 2 ...... 4296 | call dwrite(iunit,tmp,(nx(nb))*ny(nb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a C3dB-new.o c_trans.o C3dB_pfft.o C3dB-mpi.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/C3dB' Making all in DMatrix gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' Compiling DMatrix.F... Compiling DMatrix-mpi.F... DMatrix-mpi.F:1625:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1625 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1671:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 1671 | call MPI_Bcast(v2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:1892:25: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1892 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1892:31: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1892 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1945:25: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1945 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:1945:31: 1609 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1945 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) DMatrix-mpi.F:3096:26: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 3096 | call MPI_Bcast(beta,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) DMatrix-mpi.F:3141:21: 1267 | call MPI_Bcast(work2,stupid_msglen,stupid_double, | 2 ...... 3141 | call MPI_Bcast(r2,stupid_msglen,stupid_double, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a DMatrix.o DMatrix-mpi.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/DMatrix' Making all in CMatrix gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' Compiling CMatrix.F... Compiling CMatrix-mpi.F... CMatrix-mpi.F:1070:39: 288 | call Parallel_shared_vector_zero(.true.,ne0,Bcol(1+(j-1)*ne0)) | 2 ...... 1070 | > C) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1100:27: 1100 | call MPI_Bcast(work1,stupid_msglen, | 1 ...... 1244 | call MPI_Bcast(work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1123:25: 1123 | call MPI_Reduce(work2,work1,stupid_msglen, | 1 ...... 1266 | call MPI_Reduce(work1,work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1123:31: 1123 | call MPI_Reduce(work2,work1,stupid_msglen, | 1 ...... 1266 | call MPI_Reduce(work1,work2,stupid_msglen,stupid_complex, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1138:51: 1138 | call DAXPY_OMP(nc(taskid_j+1),1.0d0,work1(shift),iwrk, | 1 ...... 1280 | > work2(shift),1, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1139:42: 1139 | > C(i+1,1),mc(taskid_i+1)) | 1 ...... 1281 | > C(1,j+1),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). CMatrix-mpi.F:1849:25: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1849 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1849:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1849 | call MPI_AllReduce(work1,eig,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1902:25: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1902 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1902:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1902 | call MPI_AllReduce(work1,tu,stupid_msglen, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) CMatrix-mpi.F:1941:27: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1941 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:1941:31: 1578 | call MPI_AllReduce(mu0,mu,stupid_msglen, | 2 ...... 1941 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_complex, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). CMatrix-mpi.F:2186:53: 2186 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft2' may be used uninitialized [-Wmaybe-uninitialized] CMatrix-mpi.F:2186:59: 2186 | integer kk,iwrk,icur,jcur,ierr,shift,shft,shft2,shft3 | ^ Warning: 'shft3' may be used uninitialized [-Wmaybe-uninitialized] gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a CMatrix.o CMatrix-mpi.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/CMatrix' Making all in TMatrix gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' Compiling dgemm_omp.F... Compiling dgamm_omp.F... Compiling daxpy_omp.F... Compiling saxpy_omp.F... Compiling dscal_omp.F... Compiling zscal_omp.F... Compiling ffm_multiply_omp_group.F... Compiling zgemm_omp.F... Compiling sgemm_omp.F... Compiling ffw_multiply_omp_group.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a dgemm_omp.o dgamm_omp.o daxpy_omp.o saxpy_omp.o dscal_omp.o zscal_omp.o ffm_multiply_omp_group.o zgemm_omp.o sgemm_omp.o ffw_multiply_omp_group.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TMatrix' Making all in control gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/control' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/control' Compiling control.F... control.F:4968:26: 4968 | > dbl_mb(kvs(1))) | 1 ...... 5875 | if (.not.btdb_get(rtdb,'nwpw:3x3ne_virtual',mt_log,1,value)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). control.F:1577:54: 1577 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) then | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control_gga.fh:372:60: 64 | value = rtdb_put(rtdb,'cpsd:ispin',mt_int,1,2) | 2 ...... 372 | value = value.and.rtdb_put(rtdb,'pspw:HFX',mt_log,1,.true.) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). control.F:663:22: 663 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1061:22: 1061 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1099:22: 1099 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1175:25: 1175 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1179:58: 1179 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1193:28: 1193 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1197:58: 1197 | > btdb_put(rtdb,rtdb_unitaf,mt_dbl,9,unita_frozen) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:1203:22: 1203 | call ycopy(9,unita,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2567:19: 2567 | call ycopy(9,unita_in,1,unita,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2576:52: 2576 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2595:19: 2595 | call ycopy(9,unita,1,unita_out,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:2626:19: 2626 | call ycopy(9,unita_in,1,unita_frozen,1) | 1 ...... 3855 | call ycopy(4*num_kvectors,0.0d0,0,dbl_mb(kvs(1)),1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) control.F:2635:52: 2635 | if (.not.btdb_put(rtdb,rtdb_unita,mt_dbl,9,unita)) | 1 ...... 6199 | > mt_dbl,1,wcut_atom)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) control.F:7456:55: 6199 | > mt_dbl,1,wcut_atom)) | 2 ...... 7456 | value = btdb_put(rtdb,'nwpw:excited_ne',mt_int,2,ne) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling psi_get_ne.F... psi_get_ne.F:53:22: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:56:22: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:64:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 63 | msglen = 3 64 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:70:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:157:22: 52 | call iread(4,version,1) | 2 ...... 157 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:160:22: 52 | call iread(4,version,1) | 2 ...... 160 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:168:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 168 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:174:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 174 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:257:22: 52 | call iread(4,version,1) | 2 ...... 257 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:260:22: 52 | call iread(4,version,1) | 2 ...... 260 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:271:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 271 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:277:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 277 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:363:22: 52 | call iread(4,version,1) | 2 ...... 363 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:366:22: 52 | call iread(4,version,1) | 2 ...... 366 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:377:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 377 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_ne.F:383:49: 62 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 383 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_get_version.F... Compiling psi_get_header.F... psi_get_header.F:53:25: 52 | call iread(4,version,1) | 2 53 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:56:25: 52 | call iread(4,version,1) | 2 ...... 56 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:74:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 74 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:80:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:124:22: 52 | call iread(4,version,1) | 2 ...... 124 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:127:22: 52 | call iread(4,version,1) | 2 ...... 127 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:135:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 135 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_get_header.F:141:49: 65 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 141 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_get_header.F... cpsi_get_header.F:45:22: 44 | call iread(4,version,1) | 2 45 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:48:22: 44 | call iread(4,version,1) | 2 ...... 48 | call iread(4,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:57:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 56 | msglen = 3 57 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_get_header.F:63:49: 55 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 63 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_check_header.F... rho_check_header.F:58:25: 57 | call iread(4,version,1) | 2 58 | call iread(4,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_check_header.F:80:52: 70 | call Parallel_Brdcst_ivalues(MASTER,msglen,n) | 2 ...... 80 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling get_psp_type.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/control' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/control' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a control.o psi_get_ne.o psi_get_version.o psi_get_header.o cpsi_get_header.o rho_check_header.o get_psp_type.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/control' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/control' Making all in lattice gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' Compiling lattice.f... lattice.f:1160:19: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1160 | call ycopy(9,0.0d0,0,a,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1165:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1165 | call ycopy(6*n2ft3d,0.0d0,0,xs,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1435:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1435 | call ycopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1509:26: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1509 | call ycopy(3*n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) lattice.f:1710:24: 1029 | call ycopy(9,unitg,1,ub,1) | 2 ...... 1710 | call ycopy(n2ft3d,0.0d0,0,r,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling mask_init.F... Compiling pack.F... pack.F:2993:66: 2901 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2993 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:2993:68: 2901 | call Parallel_shared_vector_copy(.true.,2*(nida(nb)+nidb(nb)),A,B) | 2 ...... 2993 | call Parallel_shared_vector_copy(.true.,(nida(nb)+nidb(nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pack.F:469:55: 469 | call Parallel_shared_vector_zero(.true.,2*nfft3d,A) | 1 ...... 696 | call Parallel_shared_vector_zero(.true.,nfft3d,A) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pack.F:758:24: 757 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 758 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cloak.F... Compiling cram.F... cram.F:223:26: 222 | call ycopy(2*nfft3d,A,1,dcpl_mb(tmp1(1)),1) | 2 223 | call ycopy(2*nfft3d,0.0d0,0,A,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:352:28: 222 | call ycopy(2*nfft3d,A,1,dcpl_mb(tmp1(1)),1) | 2 ...... 352 | call ycopy(nfft3d,A,1,dbl_mb(tmp1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:401:24: 400 | call icopy(nfft3d,A,1,int_mb(tmp1(1)),1) | 2 401 | call icopy(nfft3d,0,0,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:983:45: 743 | call C3dB_Vector_SumAll(2*ne,sum) | 2 ...... 983 | if (np.gt.1) call C3dB_Vector_SumAll(2,tsum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cram.F:1290:42: 1047 | sum = ydot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1290 | sum = ydot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1290:49: 1047 | sum = ydot(2*int_mb(nidb2_list(1)+nb),A,1,B,1) | 2 ...... 1290 | sum = ydot(int_mb(nidb2_list(1)+nb),A(1),1,B(1),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1408:66: 1387 | > 2*(int_mb(nidb2_list(1)+nb)),A,B) | 2 ...... 1408 | > (int_mb(nidb2_list(1)+nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cram.F:1408:68: 1387 | > 2*(int_mb(nidb2_list(1)+nb)),A,B) | 2 ...... 1408 | > (int_mb(nidb2_list(1)+nb)),A,B) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling balance.F... balance.F:483:24: 416 | > A(indx), | 2 ...... 483 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). balance.F:501:24: 434 | > A(indx), | 2 ...... 501 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). Compiling c_balance.F... c_balance.F:457:24: 390 | > A(indx), | 2 ...... 457 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_balance.F:475:24: 408 | > A(indx), | 2 ...... 475 | > A(indx), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling G_init.F... Compiling c_G_init.F... Compiling strfac.F... Compiling cstrfac.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a lattice.o mask_init.o pack.o cloak.o cram.o balance.o c_balance.o G_init.o c_G_init.o strfac.o cstrfac.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/lattice' Making all in io gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/io' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/io' Compiling compressed_io.c... Compiling nwpw_message.F... Compiling second.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/io' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/io' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a compressed_io.o nwpw_message.o second.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/io' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/io' Making all in ion gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion' Compiling center.f... Compiling ion_FixIon.F... Compiling incell1.f... Compiling incell2.f... Compiling incell3.f... Compiling unfold.f... Compiling xyz.F... Compiling ion.F... ion.F:815:15: 815 | if (.not. beom_tag_to_element(t,symbol,name,q)) | 1 Warning: Missing actual argument for argument '_formal_23' at (1) ion.F:4867:27: 4714 | call ycopy(N,0.0d0,0,G1,1) | 2 ...... 4867 | call ycopy(nat3*nat3,hess,1,hessp,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ion.F:117:56: 117 | value = btdb_put(rtdb,"nwpw:ke_count",mt_int,1,ke_count) | 1 ...... 4520 | > nhess,dbl_mb(ihess(1)))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ion.F:397:57: 397 | if (.not.btdb_get(rtdb,"nwpw:ke_count",mt_int,1,ke_count)) | 1 ...... 4483 | > nhess,dbl_mb(ihess(1))) .and. | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). ion.F:758:15: 758 | if (.not. beom_tag_to_element(t,symbol,name,q)) | 1 Warning: Missing actual argument for argument '_formal_23' at (1) ion.F:3071:26: 3071 | call ycopy((3*nion),rion,1,dbl_mb(r1(1)),1) | 1 ...... 4714 | call ycopy(N,0.0d0,0,G1,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ion.F:1951:40: 1951 | integer function ion_rion_indx_ptr(indx) | ^ Warning: '__result_ion_rion_indx_ptr' may be used uninitialized [-Wmaybe-uninitialized] Compiling katm_list.F... Compiling fcoord.f... Compiling seperate_molpsp.F... seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_molpsp.F:199:72: 199 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_molpsp.F:163:51: 163 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here Compiling seperate_pointcharge.F... seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here seperate_pointcharge.F:210:72: 210 | do i=1,nion3 | ^ Warning: 'nion3' may be used uninitialized [-Wmaybe-uninitialized] seperate_pointcharge.F:176:51: 176 | integer i,geom1,geom2,geom3,nion1,nion2,nion3,rt(2) | ^ note: 'nion3' declared here Compiling ion_scaling_atoms.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion' Making all in shake gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' Compiling shake_chain.F... Compiling shake_chain2.F... Compiling shake_chain3.F... Compiling shake_bonddiff.F... Compiling shake_analysis.F... Compiling molecular.F... Compiling pspw_molecule.c... pspw_molecule.c:269:12: warning: variable 'msize' set but not used [-Wunused-but-set-variable] 269 | int j,m,msize; | ^ 1 warning generated. Compiling pspw_atom.c... Compiling pspw_bond.c... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a shake_chain.o shake_chain2.o shake_chain3.o shake_bonddiff.o shake_analysis.o molecular.o pspw_molecule.o pspw_atom.o pspw_bond.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion/shake' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a center.o ion_FixIon.o incell1.o incell2.o incell3.o unfold.o xyz.o ion.o katm_list.o fcoord.o seperate_molpsp.o seperate_pointcharge.o ion_scaling_atoms.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ion' Making all in pseudopotential gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential' Compiling psp_generator_input.F... Compiling pspsolve.c... In file included from pspsolve.c:19: ./rpspsolve.c:66:7: warning: unused variable 'i' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ ./rpspsolve.c:66:10: warning: unused variable 'j' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ ./rpspsolve.c:66:16: warning: unused variable 'l' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ ./rpspsolve.c:84:9: warning: unused variable 'soutfile' [-Wunused-variable] 84 | char *soutfile = (char *) malloc (m0 + m2 + 9); | ^~~~~~~~ 4 warnings generated. Compiling hgh_parse.c... hgh_parse.c:62:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^ hgh_parse.c:62:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 62 | int lmax_out,locp_out; | ^ hgh_parse.c:63:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 63 | double rlocal_out; | ^ hgh_parse.c:66:14: warning: unused variable 'nmax_l' [-Wunused-variable] 66 | int nmax_l[4]; | ^~~~~~ hgh_parse.c:83:14: warning: unused variable 'line' [-Wunused-variable] 83 | char line[255]; | ^~~~ hgh_parse.c:84:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 84 | int argc,value; | ^ hgh_parse.c:84:19: warning: unused variable 'value' [-Wunused-variable] 84 | int argc,value; | ^~~~~ hgh_parse.c:85:14: warning: unused variable 'words' [-Wunused-variable] 85 | char words[20][80]; | ^~~~~ 8 warnings generated. Compiling cpi_parse.c... cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 99 | int argc,value; | ^ 1 warning generated. Compiling teter_parse.c... teter_parse.c:90:14: warning: variable 'r0' set but not used [-Wunused-but-set-variable] 90 | double r0,xx; | ^ teter_parse.c:101:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 101 | int argc; | ^ 2 warnings generated. Compiling carter_parse.c... carter_parse.c:74:12: warning: variable 'over_fourpi' set but not used [-Wunused-but-set-variable] 74 | double over_fourpi; | ^ carter_parse.c:76:15: warning: unused variable 'nl' [-Wunused-variable] 76 | int *nl; | ^~ carter_parse.c:77:18: warning: unused variable 'l' [-Wunused-variable] 77 | int i,k,l,p,p1; | ^ carter_parse.c:80:19: warning: unused variable 'rl' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ carter_parse.c:80:24: warning: unused variable 'tmp' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ carter_parse.c:80:30: warning: unused variable 'tmp2' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ carter_parse.c:80:37: warning: unused variable 'sc_rho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ carter_parse.c:80:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:56: warning: unused variable 'sc_drho' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ carter_parse.c:80:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 80 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ carter_parse.c:81:7: warning: unused variable 'psil' [-Wunused-variable] 81 | **psil, | ^~~~ carter_parse.c:82:7: warning: unused variable 'pspl' [-Wunused-variable] 82 | **pspl; | ^~~~ carter_parse.c:83:22: warning: unused variable 'rmax' [-Wunused-variable] 83 | double drl=0.0,rmax; | ^~~~ carter_parse.c:85:24: warning: variable 'lmaxp' set but not used [-Wunused-but-set-variable] 85 | int lmax,locp,lmaxp; | ^ carter_parse.c:86:14: warning: unused variable 'r0' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:86:17: warning: unused variable 'xx' [-Wunused-variable] 86 | double r0,xx; | ^~ carter_parse.c:87:14: warning: unused variable 'n' [-Wunused-variable] 87 | int n[10]; | ^ carter_parse.c:89:31: warning: unused variable 'e99' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~ carter_parse.c:89:35: warning: unused variable 'e999' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~~ carter_parse.c:97:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 97 | int argc; | ^ 20 warnings generated. Compiling qmmm_parse.c... qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] 86 | double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; | ^~~~~~~ qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 93 | int argc; | ^ 2 warnings generated. Compiling get_word.c... get_word.c:131:11: warning: equality comparison with extraneous parentheses [-Wparentheses-equality] 131 | if ((c=='\n')) | ~^~~~~~ get_word.c:131:11: note: remove extraneous parentheses around the comparison to silence this warning 131 | if ((c=='\n')) | ~ ^ ~ get_word.c:131:11: note: use '=' to turn this equality comparison into an assignment 131 | if ((c=='\n')) | ^~ | = get_word.c:156:11: warning: equality comparison with extraneous parentheses [-Wparentheses-equality] 156 | if ((c=='\n')) | ~^~~~~~ get_word.c:156:11: note: remove extraneous parentheses around the comparison to silence this warning 156 | if ((c=='\n')) | ~ ^ ~ get_word.c:156:11: note: use '=' to turn this equality comparison into an assignment 156 | if ((c=='\n')) | ^~ | = get_word.c:147:11: warning: variable 'n' set but not used [-Wunused-but-set-variable] 147 | int c,n=0,value; | ^ 3 warnings generated. Compiling name.c... Compiling loggrid.c... Compiling pred_cor.c... Compiling spline.c... Compiling grids.c... grids.c:142:48: warning: format specifies type 'unsigned long' but the argument has type 'double *' [-Wformat] 142 | printf(" address: %lx\n", grid); | ~~~ ^~~~ grids.c:147:28: warning: format specifies type 'unsigned long' but the argument has type 'double *' [-Wformat] 147 | printf("%lx ", cur->grid); | ~~~ ^~~~~~~~~ 2 warnings generated. Compiling atom.c... atom.c:314:22: warning: unused variable 'sz' [-Wunused-variable] 314 | int it, converged, sz; | ^~ atom.c:546:7: warning: unused variable 'st' [-Wunused-variable] 546 | int st; | ^~ atom.c:640:10: warning: unused variable 'st' [-Wunused-variable] 640 | int i, st; | ^~ 3 warnings generated. Compiling schrodin.c... Compiling pauli.c... pauli.c:365:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 365 | node, | ^ 1 warning generated. Compiling dirac.c... dirac.c:43:9: warning: unused variable 'L0' [-Wunused-variable] 43 | L2, L0, | ^~ dirac.c:319:33: warning: unused variable 'L0' [-Wunused-variable] 319 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ dirac.c:449:32: warning: unused variable 'Ninf' [-Wunused-variable] 449 | int i, j, iteration, node, Ninf, Ngrid; | ^~~~ dirac.c:457:9: warning: unused variable 'L0' [-Wunused-variable] 457 | L2, L0, | ^~ dirac.c:459:10: warning: unused variable 'a' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^ dirac.c:459:13: warning: unused variable 'scale' [-Wunused-variable] 459 | sum, a, scale, m1scale, | ^~~~~ 6 warnings generated. Compiling zora.c... zora.c:45:9: warning: unused variable 'L0' [-Wunused-variable] 45 | L2, L0, | ^~ zora.c:321:33: warning: unused variable 'L0' [-Wunused-variable] 321 | log_amesh2, fss, gamma, L2, L0, r2, sum, *r, *f_upp, *dv, *frp, *fr, *upp; | ^~ 2 warnings generated. Compiling dft.c... dft.c:140:13: warning: variable 'n0' set but not used [-Wunused-but-set-variable] 140 | int k,NN,n0,n1=0; | ^ 1 warning generated. Compiling hartree.c... Compiling dirac_exchange.c... Compiling perdew_wang.c... perdew_wang.c:45:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 45 | double onesixth; | ^ perdew_wang.c:46:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 46 | double sevensixth; | ^ 2 warnings generated. Compiling perdew_zunger.c... perdew_zunger.c:55:21: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^ perdew_zunger.c:55:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^ perdew_zunger.c:56:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 56 | double two_to_onethird; | ^ 3 warnings generated. Compiling vosko.c... vosko.c:85:30: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^ vosko.c:85:40: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 85 | double onesixth,onethird,fourthird,twothird; | ^ vosko.c:86:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 86 | double two_to_onethird; | ^ 3 warnings generated. Compiling pbe_exchange.c... pbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^ 1 warning generated. Compiling pbe_correlation.c... pbe_correlation.c:49:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 49 | double onesixth; | ^ pbe_correlation.c:50:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 50 | double sevensixth; | ^ 2 warnings generated. Compiling revpbe_exchange.c... revpbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^ 1 warning generated. Compiling revpbe_correlation.c... revpbe_correlation.c:51:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 51 | double onesixth; | ^ revpbe_correlation.c:52:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 52 | double sevensixth; | ^ 2 warnings generated. Compiling becke_exchange.c... becke_exchange.c:35:12: warning: unused variable 'norm' [-Wunused-variable] 35 | double norm; | ^~~~ becke_exchange.c:36:16: warning: unused variable 'damp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~ becke_exchange.c:36:21: warning: unused variable 'ddamp' [-Wunused-variable] 36 | double lap,damp,ddamp; | ^~~~~ becke_exchange.c:37:12: warning: unused variable 'z5' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:15: warning: unused variable 'z4' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:18: warning: unused variable 'z3' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:21: warning: unused variable 'z2' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:37:24: warning: unused variable 'z1' [-Wunused-variable] 37 | double z5,z4,z3,z2,z1; | ^~ becke_exchange.c:39:41: warning: unused variable 'two_onethird' [-Wunused-variable] 39 | double rho_fourthirds,rho_onethird, two_onethird; | ^~~~~~~~~~~~ becke_exchange.c:59:13: warning: variable 'G2' set but not used [-Wunused-but-set-variable] 59 | double *G2; | ^ becke_exchange.c:61:13: warning: variable 'G2dr' set but not used [-Wunused-but-set-variable] 61 | double *G2dr; | ^ 11 warnings generated. Compiling lyp_correlation.c... lyp_correlation.c:27:12: warning: variable 'smallnumber' set but not used [-Wunused-but-set-variable] 27 | double smallnumber; | ^ lyp_correlation.c:37:12: warning: unused variable 'norm' [-Wunused-variable] 37 | double norm; | ^~~~ 2 warnings generated. Compiling hamann.c... Compiling troullier.c... troullier.c:191:15: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 191 | double al,amesh,rmax,Zion; | ^ 1 warning generated. Compiling xpansion.c... Compiling gaussj.c... Compiling vanderbilt.c... vanderbilt.c:209:15: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 209 | double al,amesh,Zion; | ^ 1 warning generated. Compiling xpansion2.c... xpansion2.c:61:30: warning: variable 'r11' set but not used [-Wunused-but-set-variable] 61 | double r1,r2,r3,r5,r7,r9,r11; | ^ xpansion2.c:89:27: warning: variable 'r10' set but not used [-Wunused-but-set-variable] 89 | double r1,r2,r4,r6,r8,r10; | ^ xpansion2.c:115:27: warning: variable 'r9' set but not used [-Wunused-but-set-variable] 115 | double r1,r2,r3,r5,r7,r9; | ^ xpansion2.c:139:24: warning: variable 'r8' set but not used [-Wunused-but-set-variable] 139 | double r1,r2,r4,r6,r8; | ^ 4 warnings generated. Compiling psp1d.c... Compiling generate_rho_semicore.c... Compiling debug.c... Compiling rhamann.c... rhamann.c:50:17: warning: unused variable 'itmp' [-Wunused-variable] 50 | int p, npsps, itmp; | ^~~~ 1 warning generated. Compiling rtroullier.c... rtroullier.c:173:14: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 173 | double al, amesh, rmax, Zion; | ^ 1 warning generated. Compiling rpsp.c... rpsp.c:73:10: warning: unused variable 'p1' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c:73:14: warning: unused variable 'p2' [-Wunused-variable] 73 | int p, p1, p2; | ^~ rpsp.c:76:13: warning: unused variable 'tc' [-Wunused-variable] 76 | char *w, *tc; | ^~ rpsp.c:53:15: warning: unused variable 'rlocal' [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ rpsp.c:53:23: warning: unused variable 'clocal' [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ 5 warnings generated. Making all in paw_atom gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' Compiling paw_atom_driver.c... paw_atom_driver.c:75:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^ paw_atom_driver.c:75:23: warning: variable 'locp_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^ paw_atom_driver.c:76:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 76 | double rlocal_out; | ^ paw_atom_driver.c:79:14: warning: unused variable 'zatom' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~~ paw_atom_driver.c:79:20: warning: unused variable 'zion' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~ paw_atom_driver.c:80:12: warning: unused variable 'over_fourpi' [-Wunused-variable] 80 | double over_fourpi; | ^~~~~~~~~~~ paw_atom_driver.c:82:15: warning: unused variable 'nl' [-Wunused-variable] 82 | int *nl; | ^~ paw_atom_driver.c:83:14: warning: unused variable 'i' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:16: warning: unused variable 'k' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:18: warning: unused variable 'l' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:20: warning: unused variable 'p' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^ paw_atom_driver.c:83:22: warning: unused variable 'p1' [-Wunused-variable] 83 | int i,k,l,p,p1; | ^~ paw_atom_driver.c:84:14: warning: unused variable 'Ngrid' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~~~ paw_atom_driver.c:84:20: warning: unused variable 'nrl' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~ paw_atom_driver.c:85:15: warning: unused variable 'rgrid' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~~~ paw_atom_driver.c:85:22: warning: unused variable 'psi' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:85:27: warning: unused variable 'psp' [-Wunused-variable] 85 | double *rgrid,*psi,*psp; | ^~~ paw_atom_driver.c:86:19: warning: unused variable 'rl' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~ paw_atom_driver.c:86:24: warning: unused variable 'tmp' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~ paw_atom_driver.c:86:30: warning: unused variable 'tmp2' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~ paw_atom_driver.c:86:37: warning: unused variable 'sc_rho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~ paw_atom_driver.c:86:46: warning: unused variable 'sc_rhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:56: warning: unused variable 'sc_drho' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~ paw_atom_driver.c:86:66: warning: unused variable 'sc_drhol' [-Wunused-variable] 86 | double *rl, *tmp, *tmp2, *sc_rho, *sc_rhol, *sc_drho, *sc_drhol, | ^~~~~~~~ paw_atom_driver.c:87:7: warning: unused variable 'psil' [-Wunused-variable] 87 | **psil, | ^~~~ paw_atom_driver.c:88:7: warning: unused variable 'pspl' [-Wunused-variable] 88 | **pspl; | ^~~~ paw_atom_driver.c:89:14: warning: unused variable 'drl' [-Wunused-variable] 89 | double drl,rmax; | ^~~ paw_atom_driver.c:89:18: warning: unused variable 'rmax' [-Wunused-variable] 89 | double drl,rmax; | ^~~~ paw_atom_driver.c:91:14: warning: unused variable 'lmax' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:91:19: warning: unused variable 'locp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~ paw_atom_driver.c:91:24: warning: unused variable 'lmaxp' [-Wunused-variable] 91 | int lmax,locp,lmaxp; | ^~~~~ paw_atom_driver.c:92:14: warning: unused variable 'r0' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:92:17: warning: unused variable 'xx' [-Wunused-variable] 92 | double r0,xx; | ^~ paw_atom_driver.c:93:14: warning: unused variable 'n' [-Wunused-variable] 93 | int n[10]; | ^ paw_atom_driver.c:94:14: warning: unused variable 'pspdat' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~ paw_atom_driver.c:94:21: warning: unused variable 'pspcode' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~~~ paw_atom_driver.c:94:29: warning: unused variable 'pspxc' [-Wunused-variable] 94 | int pspdat,pspcode,pspxc; | ^~~~~ paw_atom_driver.c:95:14: warning: unused variable 'r2well' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~~ paw_atom_driver.c:95:21: warning: unused variable 'rcore' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~~ paw_atom_driver.c:95:31: warning: unused variable 'e99' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~ paw_atom_driver.c:95:35: warning: unused variable 'e999' [-Wunused-variable] 95 | double r2well,rcore[10],e99,e999; | ^~~~ paw_atom_driver.c:96:14: warning: unused variable 'rchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:20: warning: unused variable 'fchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:26: warning: unused variable 'qchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ paw_atom_driver.c:96:32: warning: unused variable 'pi' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~ paw_atom_driver.c:99:13: warning: unused variable 'w' [-Wunused-variable] 99 | char *w,*tc; | ^ paw_atom_driver.c:99:16: warning: unused variable 'tc' [-Wunused-variable] 99 | char *w,*tc; | ^~ paw_atom_driver.c:100:13: warning: unused variable 'fp' [-Wunused-variable] 100 | FILE *fp; | ^~ paw_atom_driver.c:102:14: warning: unused variable 'comment' [-Wunused-variable] 102 | char comment[255]; | ^~~~~~~ paw_atom_driver.c:103:14: warning: unused variable 'argc' [-Wunused-variable] 103 | int argc; | ^~~~ paw_atom_driver.c:116:11: warning: unused variable 'full_filename' [-Wunused-variable] 116 | char *full_filename = (char *) malloc(m9+25+5); | ^~~~~~~~~~~~~ 51 warnings generated. Compiling paw_atom.c... paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 316 | double *rgrid; | ^ 1 warning generated. Compiling paw_basis.c... paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 116 | double *rgrid; | ^ paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 645 | double max_phi; | ^ paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] 843 | double max_phi; | ^ paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] 854 | double **test_matrix; | ^ paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 1453 | int Ngrid; | ^ 5 warnings generated. Compiling paw_scattering.c... paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] 110 | int Ngrid; | ^ 1 warning generated. Compiling paw_schrodin.c... Compiling paw_pauli.c... paw_pauli.c:356:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 356 | node, | ^ 1 warning generated. Compiling paw_orbitals.c... paw_orbitals.c:453:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 453 | double *rgrid; | ^ 1 warning generated. Compiling paw_kinetic_energy.c... Compiling paw_potential.c... Compiling paw_dirac_exchange.c... Compiling paw_vosko.c... Compiling paw_hartree.c... Compiling paw_core.c... Compiling paw_comp_charge.c... Compiling paw_ion.c... Compiling paw_matrix_elements.c... Compiling paw_pred_cor.c... Compiling paw_loggrid.c... Compiling paw_bisect.c... Compiling paw_error_function.c... Compiling paw_get_inverse.c... Compiling paw_my_constants.c... Compiling paw_utilities.c... Compiling paw_output.c... paw_output.c:26:12: warning: variable 'tmp' set but not used [-Wunused-but-set-variable] 26 | double tmp; | ^ paw_output.c:39:14: warning: variable 'psi_ps0' set but not used [-Wunused-but-set-variable] 39 | double** psi_ps0; | ^ 2 warnings generated. Compiling paw_sdir.c... Compiling paw_my_memory.c... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a paw_atom_driver.o paw_atom.o paw_basis.o paw_scattering.o paw_schrodin.o paw_pauli.o paw_orbitals.o paw_kinetic_energy.o paw_potential.o paw_dirac_exchange.o paw_vosko.o paw_hartree.o paw_core.o paw_comp_charge.o paw_ion.o paw_matrix_elements.o paw_pred_cor.o paw_loggrid.o paw_bisect.o paw_error_function.o paw_get_inverse.o paw_my_constants.o paw_utilities.o paw_output.o paw_sdir.o paw_my_memory.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential/paw_atom' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a psp_generator_input.o pspsolve.o hgh_parse.o cpi_parse.o teter_parse.o carter_parse.o qmmm_parse.o get_word.o name.o loggrid.o pred_cor.o spline.o grids.o atom.o schrodin.o pauli.o dirac.o zora.o dft.o hartree.o dirac_exchange.o perdew_wang.o perdew_zunger.o vosko.o pbe_exchange.o pbe_correlation.o revpbe_exchange.o revpbe_correlation.o becke_exchange.o lyp_correlation.o hamann.o troullier.o xpansion.o gaussj.o vanderbilt.o xpansion2.o psp1d.o generate_rho_semicore.o debug.o rhamann.o rtroullier.o rpsp.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/pseudopotential' Making all in utilities gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' Compiling nwpw_filefind.F... Compiling nwpw_scratch.F... Compiling nwpw_list.F... Compiling nwpw_scf_mixing.F... Compiling nwpw_spline.F... Compiling nwpw_interp.F... Compiling kerker_G.F... Compiling cpmd_properties.F... cpmd_properties.F:163:36: 31 | if (.not.btdb_get(rtdb,'nwpw:cpmd_properties',mt_log,1,doit)) | 2 ...... 163 | > mt_dbl,9,unita)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_rdf.F... Compiling pair_dist.F... Compiling pair_dist2.F... Compiling pair_distab.F... pair_distab.F:61:43: 60 | call Parallel_Brdcst_values(MASTER,1,volume) | 2 61 | call Parallel_Brdcst_values(MASTER,9,unita) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling auto_corr.F... Compiling generate_unfolded_xyz.F... Compiling matrix.f... Compiling simp.F... Compiling is_sORd.F... Compiling psi_filefind.F... Compiling v_psi_filefind.F... Compiling getfilling.F... Compiling CIF_write.F... Compiling densityofstates.F... Compiling MOTION_nframes.F... Compiling spdf_name.F... Compiling cell.F... Compiling cellgeometry.F... Compiling cpsi_data.F... cpsi_data.F:529:36: 286 | call ycopy(nsize,psi,1,dbl_mb(shift),1) | 2 ...... 529 | call ycopy(nbrill*neall*nsize,0.0d0,0,dbl_mb(indx1),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling psi_data.F... Compiling butter.F... Compiling print_elapsed_time.F... Compiling log_integrate.F... Compiling nwpw_parse.F... Compiling nwpw_matrix_invert.F... Compiling analysis_expansion_coef.F... analysis_expansion_coef.F:70:49: 65 | if (.not. btdb_put(rtdb,id,mt_int,1,lorb)) | 2 ...... 70 | if (.not. btdb_put(rtdb,id,mt_dbl,(lorb+1),b0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling nwpw_double_factorial.F... Compiling nwpw_kbpp_ray.F... Compiling nwpw_talker.c... nwpw_talker.c:62:19: warning: unused variable 'valread' [-Wunused-variable] 62 | int sock = 0, valread; | ^~~~~~~ nwpw_talker.c:250:19: warning: variable 'valread' set but not used [-Wunused-but-set-variable] 250 | int sock = 0, valread; | ^ 2 warnings generated. Compiling nwpw_expression.F... nwpw_expression.F:79:60: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 79 | value = value.and.btdb_put(rtdb,rtdb_name,mt_int,5*nc,code) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpw_expression.F:82:58: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) | 2 ...... 82 | value = value.and.btdb_put(rtdb,rtdb_name,mt_dbl,nf,fconst) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpw_expression.F:143:48: 63 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nemach)) nemach = 0 | 2 ...... 143 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,started)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling nwpw_emachine.c... nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~ nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; | ^~~~~ nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] 482 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] 673 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; | ^~~~ nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] 971 | int i; | ^ 5 warnings generated. Compiling BA_memory.F... Compiling btdb.F... Compiling beom.F... Compiling task_paulsmatrix.F... Compiling nwpw_cosmo.F... nwpw_cosmo.F:49:50: 49 | if (.not.btdb_get(rtdb,'slv:cosmo',mt_log,1,cosmo_on)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). nwpw_cosmo.F:86:57: 86 | if (.not.btdb_get(rtdb,'cosmo:gcds',mt_dbl,1,gcds)) gcds = 0.0d0 | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:88:56: 88 | if (.not.btdb_get(rtdb,'cosmo:dielec',mt_dbl,1,dielec)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:134:34: 134 | > mt_dbl,1,qthresh)) then | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:144:34: 144 | > mt_dbl,1,qalpha)) then | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:180:61: 180 | if(.not.btdb_get(rtdb,'nwpw_cosmo:Qion',mt_dbl,1,Qion)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:182:61: 182 | if(.not.btdb_get(rtdb,'nwpw_cosmo:Qelc',mt_dbl,1,Qelc)) | 1 ...... 558 | if(.not.btdb_get(rtdb,'cosmo:efcc',mt_dbl,3*nefc,qcoord)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) nwpw_cosmo.F:256:58: 254 | value = btdb_put(rtdb,'nwpw_cosmo:Qt',mt_log,1,(Qt.and.Qt0)) | 2 255 | value = value.and. 256 | > btdb_put(rtdb,'nwpw_cosmo:Qion',mt_dbl,1,Qion) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_born.F... nwpw_born.F:156:60: 148 | if (.not.btdb_get(rtdb,'nwpw:born_relax',mt_log,1,born_relax)) | 2 ...... 156 | if (.not.btdb_get(rtdb,'nwpw:born_dielec',mt_dbl,1,dielec)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_cdft.F... nwpw_cdft.F:65:32: 51 | if (.not.btdb_get(rtdb,'nwpw:cdft',mt_log,1,cdft_on)) | 2 ...... 65 | > nion,dbl_mb(qcdft(1)))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling nwpw_fftpack3d.F... nwpw_fftpack3d.F:246:21: 50 | call dcffti(nz,tmp(tz)) | 2 ...... 246 | call dcffti(nz,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:250:23: 54 | call jcopy(nz,A(indx),inc3c,tmp,1) | 2 ...... 250 | call jcopy(nz,A(indx),inc3c,tmp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:250:37: 54 | call jcopy(nz,A(indx),inc3c,tmp,1) | 2 ...... 250 | call jcopy(nz,A(indx),inc3c,tmp,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:251:24: 55 | call dcfftb(nz,tmp,tmp(tz)) | 2 ...... 251 | call dcfftb(nz,tmp,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:251:28: 55 | call dcfftb(nz,tmp,tmp(tz)) | 2 ...... 251 | call dcfftb(nz,tmp,tmp(tz)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:344:24: 175 | call dcfftf(ny,tmp,tmp(ty)) | 2 ...... 344 | call dcfftf(nx,tmp,tmp(tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_fftpack3d.F:344:28: 175 | call dcfftf(ny,tmp,tmp(ty)) | 2 ...... 344 | call dcfftf(nx,tmp,tmp(tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' Making all in paw_utilities gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_gaunt.F... Compiling nwpw_compcharge.F... nwpw_compcharge.F:1606:55: 974 | > dbl_mb(tmp(1))) | 2 ...... 1606 | call Parallel_shared_vector_zero(.true.,2*npack0,v_smooth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:2098:34: 754 | call ycopy(nray,0.0d0,0,vlray,1) | 2 ...... 2098 | call ycopy(2*npack0,0.0d0,0,dng_smooth,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_compcharge.F:4276:72: 4276 | call ycopy(3*nion_paw,0.0d0,0,dbl_mb(fmult(1))) | 1 Warning: Missing actual argument for argument '_formal_74' at (1) nwpw_compcharge.F:1158:72: 1158 | call Parallel_shared_vector_zero(.true.,8,dbl_mb(tmp(1))) | ^ Warning: 'tmp' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1135:66: 1135 | integer glm_cmp(2),glm_cmp_smooth(2),gvtmp(2),ftmp(2),tmp(2) | ^ note: 'tmp' declared here nwpw_compcharge.F:1158:72: 1158 | call Parallel_shared_vector_zero(.true.,8,dbl_mb(tmp(1))) | ^ Warning: 'tmp' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1135:66: 1135 | integer glm_cmp(2),glm_cmp_smooth(2),gvtmp(2),ftmp(2),tmp(2) | ^ note: 'tmp' declared here nwpw_compcharge.F:1260:72: 1260 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:16: 1136 | integer Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:1262:72: 1262 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:19: 1136 | integer Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:1264:72: 1264 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:1136:22: 1136 | integer Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:4404:72: 4404 | > dbl_mb(ftmp(1))) | ^ Warning: 'ftmp' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4374:59: 4374 | integer glm_cmp(2),glm_cmp_smooth(2),gvtmp(2),ftmp(2),tmp(2) | ^ note: 'ftmp' declared here nwpw_compcharge.F:4476:72: 4476 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:44: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4478:72: 4478 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:47: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4480:72: 4480 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4373:50: 4373 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:4668:72: 4668 | > dbl_mb(ftmp(1))) | ^ Warning: 'ftmp' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4645:43: 4645 | integer glm_cmp(2),glmvcmp(2),ftmp(2),tmp(2) | ^ note: 'ftmp' declared here nwpw_compcharge.F:4728:72: 4728 | > dbl_mb(tmp(1))) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:33: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:4730:72: 4730 | > dbl_mb(tmp(1)+1)) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:36: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:4732:72: 4732 | > dbl_mb(tmp(1)+2)) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:4644:39: 4644 | integer indx,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here nwpw_compcharge.F:5375:72: 5375 | call ycopy(3*nion_paw,0.0d0,0,dbl_mb(ftmp(1)),1) | ^ Warning: 'ftmp' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5349:59: 5349 | integer glm_cmp(2),glm_cmp_smooth(2),gvtmp(2),ftmp(2) | ^ note: 'ftmp' declared here nwpw_compcharge.F:5438:72: 5438 | call Pack_tt_idot(0,dbl_mb(Gx),dbl_mb(gvtmp(1)),e1x) | ^ Warning: 'gx' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:44: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gx' was declared here nwpw_compcharge.F:5439:72: 5439 | call Pack_tt_idot(0,dbl_mb(Gy),dbl_mb(gvtmp(1)),e1y) | ^ Warning: 'gy' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:47: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gy' was declared here nwpw_compcharge.F:5440:72: 5440 | call Pack_tt_idot(0,dbl_mb(Gz),dbl_mb(gvtmp(1)),e1z) | ^ Warning: 'gz' may be used uninitialized [-Wmaybe-uninitialized] nwpw_compcharge.F:5348:50: 5348 | integer indx1up,indx2up,indx1,indx2,Gx,Gy,Gz | ^ note: 'gz' was declared here Compiling nwpw_gintegrals3.F... Compiling nwpw_xc.F... Compiling nwpw_vosko.F... Compiling nwpw_gga.F... Compiling nwpw_SpecialKummer.F... Compiling nwpw_GaussBessel.F... Compiling nwpw_WGaussian.F... Compiling nwpw_gauss_weights.F... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a nwpw_gaunt.o nwpw_compcharge.o nwpw_gintegrals3.o nwpw_xc.o nwpw_vosko.o nwpw_gga.o nwpw_SpecialKummer.o nwpw_GaussBessel.o nwpw_WGaussian.o nwpw_gauss_weights.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities/paw_utilities' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a nwpw_filefind.o nwpw_scratch.o nwpw_list.o nwpw_scf_mixing.o nwpw_spline.o nwpw_interp.o kerker_G.o cpmd_properties.o nwpw_rdf.o pair_dist.o pair_dist2.o pair_distab.o auto_corr.o generate_unfolded_xyz.o matrix.o simp.o is_sORd.o psi_filefind.o v_psi_filefind.o getfilling.o CIF_write.o densityofstates.o MOTION_nframes.o spdf_name.o cell.o cellgeometry.o cpsi_data.o psi_data.o butter.o print_elapsed_time.o log_integrate.o nwpw_parse.o nwpw_matrix_invert.o analysis_expansion_coef.o nwpw_double_factorial.o nwpw_kbpp_ray.o nwpw_talker.o nwpw_expression.o nwpw_emachine.o BA_memory.o btdb.o beom.o task_paulsmatrix.o nwpw_cosmo.o nwpw_born.o nwpw_cdft.o nwpw_fftpack3d.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/utilities' Making all in unitcell gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' Compiling simulation_cell_input.F... simulation_cell_input.F:411:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 411 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,ngrid)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). simulation_cell_input.F:430:49: 403 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,9,unita)) | 2 ...... 430 | if (.not. rtdb_put(rtdb,rtdb_name,mt_dbl,1,box_delta)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a simulation_cell_input.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/unitcell' Making all in brillouin_zone gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' Compiling brillouin_zone_input.F... brillouin_zone_input.F:157:26: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 157 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). brillouin_zone_input.F:272:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 272 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) brillouin_zone_input.F:416:49: 141 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,num_kvectors)) | 2 ...... 416 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,3,nn)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling brillioun.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a brillouin_zone_input.o brillioun.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/brillouin_zone' Making all in fractional gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' Compiling fractional.F... Compiling frac_occ_input.F... frac_occ_input.F:126:26: 106 | if (.not. rtdb_put(rtdb,rtdb_name,mt_int,1,norbs)) | 2 ...... 126 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling frac_occ.F... frac_occ.F:54:26: 31 | if (.not. btdb_get(rtdb,rtdb_name,mt_int,1,num_states)) | 2 ...... 54 | > dbl_mb(occ(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a fractional.o frac_occ_input.o frac_occ.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/fractional' Making all in linesearch gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' Compiling linesearch.F... Compiling Order_Values.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a linesearch.o Order_Values.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/linesearch' Making all in timing gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/timing' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/timing' Compiling nwpw_timing.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/timing' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/timing' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a nwpw_timing.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/timing' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/timing' Making all in ewald gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' Compiling ewald.F... ewald.F:605:11: 605 | do i=ion_nion_qm(1)+1,ion_nion() | 1 Warning: More actual than formal arguments in procedure call at (1) ewald.F:955:52: 792 | > dcpl_mb(s(1))) | 2 ...... 955 | call Parallel_shared_vector_zero(.false.,nion,dbl_mb(fx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). ewald.F:1179:39: 364 | call ycopy(3*enpack,0.0d0,0,dbl_mb(eG(1)),1) | 2 ...... 1179 | call ycopy((2*enpack),0.0d0,0,dcpl_mb(strf(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ewald.F:1127:23: 1127 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:1694:23: 1694 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] ewald.F:2255:23: 2255 | integer H(2),F(2),tmp1(2),tmp2(2),exi(2),strf(2) | ^ Warning: 'f[0]' may be used uninitialized [-Wmaybe-uninitialized] Compiling ewald_strfac.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a ewald.o ewald_strfac.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/ewald' Making all in thermostats gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' Compiling nose-hoover.F... nose-hoover.F:65:52: 62 | if (.not.btdb_get(rtdb,'cpmd:nose_restart',mt_log,1,nosers)) | 2 ...... 65 | if (.not.btdb_get(rtdb,'cpmd:Mchain',mt_int,1,Mchain)) Mchain = 1 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). nose-hoover.F:238:51: 237 | value = value.and.btdb_put(rtdb,'cpmd:eke0',mt_dbl,1,eke0_init) | 2 238 | > .and.btdb_put(rtdb,'cpmd:Mchain',mt_int,1,Mchain) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a nose-hoover.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/thermostats' Making all in MetaDynamics gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' Compiling metadynamics_input.F... metadynamics_input.F:272:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 272 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:280:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 280 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:286:34: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 286 | > nparammeta,dbl_mb(parammeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). metadynamics_input.F:300:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 300 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:302:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 302 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:378:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 378 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:386:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 386 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:406:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 406 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:408:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 408 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:487:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 487 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:495:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 495 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:515:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 515 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:517:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 517 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:666:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 666 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:674:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 674 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:694:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 694 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 696 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:795:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 795 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:803:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 803 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:823:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 823 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:825:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 825 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:904:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 904 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:912:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 912 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:932:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 932 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:934:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 934 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1022:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1022 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1030:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1030 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1050:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1050 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1052:61: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1052 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1055:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1055 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1057:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1057 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1059:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1059 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1061:59: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1061 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1064:49: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1064 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1146:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1146 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1154:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1154 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1174:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1174 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1176:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1176 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1288:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1288 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1296:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1296 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1316:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1316 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1318:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1318 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1402:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1402 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1410:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1410 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1430:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1430 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1432:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1432 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1510:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1510 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1518:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1518 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1538:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1538 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1540:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1540 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1696:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1696 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1704:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1704 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1724:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1724 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1726:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1726 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1802:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1802 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1810:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1810 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1830:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1832:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1832 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1955:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1955 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1963:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1963 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1983:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1983 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:1985:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1985 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2066:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2066 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2074:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2074 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2094:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2094 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) metadynamics_input.F:2096:57: 174 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2096 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling metadynamics_aux.F... metadynamics_aux.F:227:14: 227 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:229:14: 229 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:243:20: 243 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:255:17: 255 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:306:14: 306 | C1 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:308:14: 308 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:336:20: 336 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) metadynamics_aux.F:368:17: 368 | C2 = metadynamics_coordnumber(sprik,n,m,r0, | 1 Warning: Type mismatch in argument 'rion' at (1); passed REAL(8) to INTEGER(8) Compiling metadynamics.F... metadynamics.F:71:51: 44 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 71 | if (.not.btdb_get(rtdb,rtdb_name,mt_dbl,1,dTtempered)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). metadynamics.F:648:41: 625 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 648 | > nxmeta_all,dbl_mb(ymeta(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a metadynamics_input.o metadynamics_aux.o metadynamics.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/MetaDynamics' Making all in TAMD gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' Compiling tamd_input.F... tamd_input.F:195:47: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 195 | value = rtdb_put(rtdb,rtdb_name,mt_log,1,zfixed) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tamd_input.F:320:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 320 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:328:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 328 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:348:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 348 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:350:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 350 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:452:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 452 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:460:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 460 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:480:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 480 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:482:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 482 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:585:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 585 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:593:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 593 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:613:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 613 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:615:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 615 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:800:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 800 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:808:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 808 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:828:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 828 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:830:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 830 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:950:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 950 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:958:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 958 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:978:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 978 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:980:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 980 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1084:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1084 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1092:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1092 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1112:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1112 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1114:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1114 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1202:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1202 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1210:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1210 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1230:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1230 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1232:61: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1232 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1235:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1235 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1237:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1237 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1239:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1239 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metarayshift) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1241:59: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1241 | value=value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,metaraycount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1244:49: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1244 | > rtdb_put(rtdb,rtdb_name,mt_int,1,maxmetaprintcount) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1326:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1326 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1334:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1334 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1354:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1354 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1356:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1356 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1468:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1468 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1476:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1476 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1496:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1496 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1498:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1498 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1582:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1582 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1590:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1590 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1610:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1610 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1612:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1612 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1711:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1711 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1719:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1719 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1739:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1739 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1741:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1741 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1845:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1845 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1853:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1853 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1873:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1873 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:1875:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 1875 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2027:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2027 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2035:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2035 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2055:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2055 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2057:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2057 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2164:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2164 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,nindxmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2172:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2172 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nparammeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2192:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2192 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nmeta) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) tamd_input.F:2194:57: 179 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,sindx) | 2 ...... 2194 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_int,1,nxmeta_all) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling tamd.F... tamd.F:66:51: 50 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,maxmetaprintcount)) | 2 ...... 66 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,zfixed)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tamd.F:733:57: 707 | value= value.and.btdb_put(rtdb,rtdb_name,mt_int,1,metacount) | 2 ...... 733 | > btdb_put(rtdb,rtdb_name,mt_dbl,nmeta,ztamd) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tamd.F:2356:72: 2356 | do i=1,ndim | ^ Warning: 'ndim' may be used uninitialized [-Wmaybe-uninitialized] tamd.F:2272:26: 2272 | integer i,s1,s2,ndim,nparam,nindx,ntype,count,sindx(10),sparam(10) | ^ note: 'ndim' declared here gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a tamd_input.o tamd.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/TAMD' Making all in FMM gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' Compiling fmm.F... fmm.F:378:46: 272 | call Parallel_Vector_SumAll(((lmax+1)**2)*(n*n*n),Mlm) | 2 ...... 378 | call Parallel_Vector_SumAll((lmax+1)**2,Llm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a fmm.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/FMM' Making all in md_xs gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' Compiling md_xs_input.F... md_xs_input.F:125:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 125 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,rmax) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_xs_input.F:183:50: 113 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,icenter) | 2 ...... 183 | > rtdb_put(rtdb,rtdb_name,mt_int,2,isteps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling md_xs.F... md_xs.F:1116:30: 994 | call ycopy(2*nr,0.0d0,0,chi_r,1) | 2 ...... 1116 | call ycopy(nkf0,0.0d0,0,dbl_mb(tchi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). md_xs.F:127:36: 123 | > mt_dbl,1,temperature)) then | 2 ...... 127 | > mt_int,2,steps)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_xs.F:452:51: 450 | if (.not.btdb_get(rtdb,'md_xs:center',mt_int,1,center)) | 2 451 | > center = 1 452 | if (.not.btdb_get(rtdb,'md_xs:rmax',mt_dbl,1,rmax)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_xs.F:299:72: 299 | call ycopy(nat3,0.0d0,0,dbl_mb(dq0(1)),1) | ^ Warning: 'dq0' may be used uninitialized [-Wmaybe-uninitialized] md_xs.F:40:49: 40 | integer ihesst(2),ihess(2),ihessp(2),dq0(2),dq1(2) | ^ note: 'dq0' declared here md_xs.F:300:72: 300 | call ycopy(nat3,0.0d0,0,dbl_mb(dq1(1)),1) | ^ Warning: 'dq1' may be used uninitialized [-Wmaybe-uninitialized] md_xs.F:40:56: 40 | integer ihesst(2),ihess(2),ihessp(2),dq0(2),dq1(2) | ^ note: 'dq1' declared here md_xs.F:271:13: 271 | if (mc_algorithm.eq.0) then | ^ Warning: 'mc_algorithm' may be used uninitialized [-Wmaybe-uninitialized] md_xs.F:39:66: 39 | integer seed,mc_napply,mc_ngroups,mc_group_size,mc_algorithm | ^ note: 'mc_algorithm' was declared here gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' Making all in FEFF6L gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' Compiling feff6Lib.F... feff6Lib.F:163:19: 163 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:9605:19: 9605 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:932:19: 932 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:12183:19: 12183 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:11719:19: 11719 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:1336:19: 1336 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, test, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] feff6Lib.F:4014:19: 4014 | common /dira/ dv(251), dr(251), dp(251), dq(251), dpas, tets, | 1 Warning: Padding of 4 bytes required before 'nes' in COMMON 'dira' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a feff6Lib.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs/FEFF6L' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a md_xs_input.o md_xs.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/md_xs' Making all in nwpwxc gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' Compiling nwpwxc_block.F... Compiling nwpwxc_add.F... Compiling nwpwxc_query.F... Compiling nwpwxc_nwchem.F... nwpwxc_nwchem.F:256:33: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 256 | > nwpwxc_cam_alpha) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). nwpwxc_nwchem.F:292:46: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 292 | + nwpwxc_num_f,nwpwxc_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:295:48: 250 | status=status.and.rtdb_put(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 2 ...... 295 | + nwpwxc_usr_num,nwpwxc_usr_ids) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_nwchem.F:366:56: 320 | if (rtdb_get(rtdb,'int:cando_txs',mt_log,1,junk)) then | 2 ...... 366 | status=status.and.rtdb_get(rtdb,rtdb_key,MT_INT,1,nwpwxc_num_f) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nwpwxc_vdw3d.F... gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' Compiling nwpwxc_eval.F... Compiling nwpwxc_x_att.F... Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_bnl.F... Compiling nwpwxc_x_camb88.F... Compiling nwpwxc_x_camlsd.F... Compiling nwpwxc_x_campbe.F... Compiling nwpwxc_x_cams12.F... Compiling nwpwxc_x_dirac.F... Compiling nwpwxc_x_gill.F... Compiling nwpwxc_x_hse08.F... Compiling nwpwxc_x_ft97.F... Compiling nwpwxc_x_m05.F... Compiling nwpwxc_x_m06.F... Compiling nwpwxc_x_m11.F... Compiling nwpwxc_x_opt.F... Compiling nwpwxc_x_pbe.F... Compiling nwpwxc_x_rpbe.F... Compiling nwpwxc_x_pkzb99.F... Compiling nwpwxc_x_s12.F... Compiling nwpwxc_x_sogga.F... Compiling nwpwxc_x_tpss03.F... Compiling nwpwxc_x_wpbe.F... Compiling nwpwxc_x_vs98.F... Compiling nwpwxc_c_b95.F... Compiling nwpwxc_c_ft97.F... Compiling nwpwxc_c_lyp.F... Compiling nwpwxc_c_m05.F... Compiling nwpwxc_c_m06.F... Compiling nwpwxc_c_m11.F... Compiling nwpwxc_c_opt.F... Compiling nwpwxc_c_p91.F... Compiling nwpwxc_c_p91_vwn5.F... Compiling nwpwxc_c_pw91lda.F... Compiling nwpwxc_c_sogga.F... Compiling nwpwxc_c_pbe.F... Compiling nwpwxc_c_Mpbe.F... Compiling nwpwxc_c_pkzb99.F... Compiling nwpwxc_c_tpss03.F... nwpwxc_c_tpss03.F:463:72: 463 | en = pbe*(1.d0 + ccc*xx2) | ^ Warning: 'ccc' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_c_tpss03.F:104:32: 104 | double precision zeta, ccc | ^ note: 'ccc' was declared here Compiling nwpwxc_c_vs98.F... Compiling nwpwxc_c_lsda.F... Compiling nwpwxc_c_vwn1.F... Compiling nwpwxc_c_vwn1_rpa.F... Compiling nwpwxc_c_vwn2.F... Compiling nwpwxc_c_vwn3.F... Compiling nwpwxc_c_vwn4.F... Compiling nwpwxc_c_vwn5.F... Compiling nwpwxc_c_op.F... Compiling nwpwxc_cs00.F... Compiling nwpwxc_vdw3b.F... nwpwxc_vdw3b.F:1337:6: 1337 | FUNCTION nwpwxc_READAA(A,ISTART,IEND,IEND2) | ^ Warning: '__result_nwpwxc_readaa' is used uninitialized [-Wuninitialized] nwpwxc_vdw3b.F:1139:9: 1139 | if(nl.lt.2)then | ^ Warning: 'nl' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3b.F:1109:23: 1109 | integer i,j,nn,nl | ^ note: 'nl' was declared here Compiling nwpwxc_vdw3c.F... nwpwxc_vdw3c.F:3035:31: 3035 | subroutine nwpwxc_split(str,delims,before,sep) | 1 Warning: Interface mismatch in global procedure 'nwpwxc_split' at (1): INTENT mismatch in argument 'sep' nwpwxc_vdw3c.F:509:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 509 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:612:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 612 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1311:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1311 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1312:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1312 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1736:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1736 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6save,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:1738:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1738 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2381:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2381 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3c.F:2382:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2382 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,drijsize,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-4) nwpwxc_vdw3c.F:2440:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2440 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:2483:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2483 | if (np.gt.1) call GA_DGOP(9+MSGDBL,sigma,9,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3c.F:1082:53: 1082 | real*8, allocatable,dimension(:,:,:,:) :: drij !d(E)/d(r_ij) derivative wrt. dist. iat-jat | ^ Warning: 'drij.offset' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:1082:53: Warning: 'drij.dim[3].stride' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3c.F:2581:24: 2581 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ Warning: 'e6' is used uninitialized [-Wuninitialized] Compiling nwpwxcP_xc_b97.c... nwpwxcP_xc_b97.c:455:6: warning: variable 'exaa' is used uninitialized whenever 'if' condition is false [-Wsometimes-uninitialized] 455 | if(ra > *tol_rho ) { | ^~~~~~~~~~~~~ nwpwxcP_xc_b97.c:508:38: note: uninitialized use occurs here 508 | FX[ _FXC_E ] = ScalGGAX*(ra43*exaa + rb43*exbb); | ^~~~ nwpwxcP_xc_b97.c:455:3: note: remove the 'if' if its condition is always true 455 | if(ra > *tol_rho ) { | ^~~~~~~~~~~~~~~~~~ 456 | if(max_pow_u == 2 ){ 457 | nwpwxcP_xc_gss3tar(ra,gaa,gamma_xss,xss, 458 | &exaa,&Gex_aa_ra,&Gex_aa_gaa, 459 | &Gex_aa_rara,&Gex_aa_ragaa,&Gex_aa_gaagaa); 460 | }else{ 461 | nwpwxcP_xc_gss5tar(ra,gaa,gamma_xss,xss, 462 | &exaa,&Gex_aa_ra,&Gex_aa_gaa, 463 | &Gex_aa_rara,&Gex_aa_ragaa,&Gex_aa_gaagaa); 464 | } 465 | //Slater-X and derivatives 466 | ra43 = -CX *pow(ra,(4.0/3.0)); 467 | ra13 = -CX43*pow(ra,(1.0/3.0)); 468 | raM23= -CX49*pow(ra,(-2.0/3.0)); 469 | } else { | ~~~~~~ 470 | ra43 = 0.0; | ~~~~~~~~~~~ nwpwxcP_xc_b97.c:435:14: note: initialize the variable 'exaa' to silence this warning 435 | double exaa,exbb; | ^ | = 0.0 nwpwxcP_xc_b97.c:480:6: warning: variable 'exbb' is used uninitialized whenever 'if' condition is false [-Wsometimes-uninitialized] 480 | if(rb > *tol_rho ) { | ^~~~~~~~~~~~~ nwpwxcP_xc_b97.c:508:50: note: uninitialized use occurs here 508 | FX[ _FXC_E ] = ScalGGAX*(ra43*exaa + rb43*exbb); | ^~~~ nwpwxcP_xc_b97.c:480:3: note: remove the 'if' if its condition is always true 480 | if(rb > *tol_rho ) { | ^~~~~~~~~~~~~~~~~~ 481 | if(max_pow_u == 2 ){ 482 | nwpwxcP_xc_gss3tar(rb,gbb,gamma_xss,xss, 483 | &exbb,&Gex_bb_rb,&Gex_bb_gbb, 484 | &Gex_bb_rbrb,&Gex_bb_rbgbb,&Gex_bb_gbbgbb); 485 | }else{ 486 | nwpwxcP_xc_gss5tar(rb,gbb,gamma_xss,xss, 487 | &exbb,&Gex_bb_rb,&Gex_bb_gbb, 488 | &Gex_bb_rbrb,&Gex_bb_rbgbb,&Gex_bb_gbbgbb); 489 | } 490 | //Slater-X, more or less 491 | rb43 = -CX *pow(rb,(4.0/3.0)); 492 | rb13 = -CX43*pow(rb,(1.0/3.0)); 493 | rbM23= -CX49*pow(rb,(-2.0/3.0)); 494 | } else { | ~~~~~~ 495 | rb43 = 0.0; | ~~~~~~~~~~~ nwpwxcP_xc_b97.c:435:19: note: initialize the variable 'exbb' to silence this warning 435 | double exaa,exbb; | ^ | = 0.0 nwpwxcP_xc_b97.c:551:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^ nwpwxcP_xc_b97.c:551:21: warning: variable 'Gec_b0' set but not used [-Wunused-but-set-variable] 551 | double Gec_a0=0.0,Gec_b0=0.0; | ^ nwpwxcP_xc_b97.c:609:6: warning: variable 'Gec_a0_ra' is used uninitialized whenever 'if' condition is false [-Wsometimes-uninitialized] 609 | if(ra > *tol_rho) { | ^~~~~~~~~~~~~ nwpwxcP_xc_b97.c:641:27: note: uninitialized use occurs here 641 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; | ^~~~~~~~~ nwpwxcP_xc_b97.c:609:3: note: remove the 'if' if its condition is always true 609 | if(ra > *tol_rho) { | ^~~~~~~~~~~~~~~~~ 610 | nwpwxcP_c_pwlda(ra, 0.0, FCLDA); 611 | //ec_ra0 *= ra; 612 | ec_a0 =FCLDA[_FXC_E] ; 613 | Gec_a0_ra =FCLDA[_FXC_RA] ; 614 | //Gec_a0_rb =0.0;//FCLDA[_FXC_RB] ; 615 | Gec_a0_rara=FCLDA[_FXC_RARA]; 616 | //Gec_a0_rbrb=0.0;//FCLDA[_FXC_RBRB]; 617 | //Gec_a0_rarb=0.0;//FCLDA[_FXC_RARB]; 618 | } else { | ~~~~~~ 619 | ec_a0 = 0.0; | ~~~~~~~~~~~~ 620 | Gec_a0 = 0.0; | ~~~~~~~~~~~~~ 621 | Gec_a0_rara = 0.0; | ~~~~~~~~~~~~~~~~~~ 622 | } | ~ nwpwxcP_xc_b97.c:552:19: note: initialize the variable 'Gec_a0_ra' to silence this warning 552 | double Gec_a0_ra,Gec_a0_rara; | ^ | = 0.0 nwpwxcP_xc_b97.c:625:6: warning: variable 'Gec_b0_rb' is used uninitialized whenever 'if' condition is false [-Wsometimes-uninitialized] 625 | if(rb > *tol_rho) { | ^~~~~~~~~~~~~ nwpwxcP_xc_b97.c:642:27: note: uninitialized use occurs here 642 | Gec_ab_rb = Gec_ab_rb - Gec_b0_rb; | ^~~~~~~~~ nwpwxcP_xc_b97.c:625:3: note: remove the 'if' if its condition is always true 625 | if(rb > *tol_rho) { | ^~~~~~~~~~~~~~~~~ 626 | nwpwxcP_c_pwlda(0.0, rb, FCLDA); 627 | //ec_rb0 *= rb; 628 | ec_b0 =FCLDA[_FXC_E] ; 629 | //Gec_b0_ra =0.0;//FCLDA[_FXC_RA] ; 630 | Gec_b0_rb =FCLDA[_FXC_RB] ; 631 | //Gec_b0_rara=0.0;//FCLDA[_FXC_RARA]; 632 | Gec_b0_rbrb=FCLDA[_FXC_RBRB]; 633 | //Gec_b0_rarb=0.0;//FCLDA[_FXC_RARB]; 634 | } else { | ~~~~~~ 635 | ec_b0 = 0.0; | ~~~~~~~~~~~~ 636 | Gec_b0 = 0.0; | ~~~~~~~~~~~~~ 637 | Gec_b0_rbrb = 0.0; | ~~~~~~~~~~~~~~~~~~ 638 | } | ~ nwpwxcP_xc_b97.c:553:19: note: initialize the variable 'Gec_b0_rb' to silence this warning 553 | double Gec_b0_rb,Gec_b0_rbrb; | ^ | = 0.0 6 warnings generated. Compiling nwpwxc_x_b97.F... Compiling nwpwxc_c_b97.F... Compiling nwpwxc_xc_kt1.F... Compiling nwpwxc_c_spbe.F... Compiling nwpwxc_x_ssbD_1.F... Compiling nwpwxc_c_perdew81.F... Compiling nwpwxc_c_perdew86.F... Compiling nwpwxc_x_pw91.F... Compiling nwpwxc_x_pw6.F... Compiling nwpwxc_x_b86b.F... Compiling nwpwxc_x_scan.F... Compiling nwpwxc_c_scan.F... ./build_dftd3a.sh using existing dftd3.tgz Hmm... Looks like a unified diff to me... The text leading up to this was: -------------------------- |--- dftd3.f 2016-06-07 18:30:18.000000000 -0700 |+++ nwpwxc_vdw3a.F 2023-10-16 10:55:00.981252161 -0700 -------------------------- Patching file nwpwxc_vdw3a.F using Plan A... Hunk #1 succeeded at 25. Hunk #2 succeeded at 70. Hunk #3 succeeded at 124. Hunk #4 succeeded at 161. Hunk #5 succeeded at 224. Hunk #6 succeeded at 253. Hunk #7 succeeded at 268. Hunk #8 succeeded at 290. Hunk #9 succeeded at 358. Hunk #10 succeeded at 452. Hunk #11 succeeded at 491. Hunk #12 succeeded at 537. Hunk #13 succeeded at 552. Hunk #14 succeeded at 577. Hunk #15 succeeded at 588. Hunk #16 succeeded at 605. Hunk #17 succeeded at 613. Hunk #18 succeeded at 657. Hunk #19 succeeded at 676. Hunk #20 succeeded at 705. Hunk #21 succeeded at 790. Hunk #22 succeeded at 809. Hunk #23 succeeded at 851. Hunk #24 succeeded at 869. Hunk #25 succeeded at 883. Hunk #26 succeeded at 897. Hunk #27 succeeded at 918. Hunk #28 succeeded at 934. Hunk #29 succeeded at 944. Hunk #30 succeeded at 958. Hunk #31 succeeded at 992. Hunk #32 succeeded at 1045. Hunk #33 succeeded at 1088. Hunk #34 succeeded at 1327. Hunk #35 succeeded at 1494. Hunk #36 succeeded at 1534. Hunk #37 succeeded at 1572. Hunk #38 succeeded at 1600. Hunk #39 succeeded at 1613. Hunk #40 succeeded at 1624. Hunk #41 succeeded at 1636. Hunk #42 succeeded at 1662. Hunk #43 succeeded at 1691. Hunk #44 succeeded at 1702. Hunk #45 succeeded at 1744. Hunk #46 succeeded at 1767. Hunk #47 succeeded at 1776. Hunk #48 succeeded at 1819. Hunk #49 succeeded at 1852. Hunk #50 succeeded at 1896. Hunk #51 succeeded at 1940. Hunk #52 succeeded at 2000. Hunk #53 succeeded at 2047. Hunk #54 succeeded at 2070. Hunk #55 succeeded at 2090. Hunk #56 succeeded at 2143. Hunk #57 succeeded at 2151. Hunk #58 succeeded at 2169. Hunk #59 succeeded at 2191. Hunk #60 succeeded at 2201. Hunk #61 succeeded at 2216. Hunk #62 succeeded at 2231. Hunk #63 succeeded at 2258. Hunk #64 succeeded at 2272. Hunk #65 succeeded at 2286. Hunk #66 succeeded at 2347. Hunk #67 succeeded at 2366. Hunk #68 succeeded at 2391. Hunk #69 succeeded at 2400. Hunk #70 succeeded at 2424. Hunk #71 succeeded at 2449. Hunk #72 succeeded at 2553. Hunk #73 succeeded at 2592. Hunk #74 succeeded at 2601. Hunk #75 succeeded at 2709. Hunk #76 succeeded at 2717. Hunk #77 succeeded at 2727. Hunk #78 succeeded at 2776. Hunk #79 succeeded at 2835. Hunk #80 succeeded at 2859. Hunk #81 succeeded at 2874. Hunk #82 succeeded at 2903. done Compiling nwpwxc_vdw3a.F... nwpwxc_vdw3a.F:1785:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1785 | if (np.gt.1) call GA_DGOP(9+MSGDBL,cc6ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:1786:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1786 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r2ab,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:1787:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 1787 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dmp,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2373:41: 1788 | if (np.gt.1) call GA_IGOP(9+MSGINT,icomp,n*n,'+') | 2 ...... 2373 | if (np.gt.1) call GA_IGOP(9+MSGINT,iabccalc,n*(n+1)/2,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(2)). nwpwxc_vdw3a.F:2458:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2458 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r2abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2459:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2459 | if (np.gt.1) call GA_DGOP(9+MSGDBL,r3abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2460:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2460 | if (np.gt.1) call GA_DGOP(9+MSGDBL,c6abc,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2461:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2461 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6ij,n*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3a.F:2564:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2564 | if (np.gt.1) call GA_DGOP(9+MSGDBL,dc6i,n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2565:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2565 | if (np.gt.1) call GA_DGOP(9+MSGDBL,drij,n*(n+1)/2,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) nwpwxc_vdw3a.F:2605:41: 1709 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') | 2 ...... 2605 | if (np.gt.1) call GA_DGOP(9+MSGDBL,g,3*n,'+') | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) nwpwxc_vdw3a.F:1849:24: 1849 | real*8 cn(n),i6,e6,e8,e10,edisp | ^ Warning: 'e6' is used uninitialized [-Wuninitialized] nwpwxc_vdw3a.F:395:19: 395 | if(minc6.and.j.lt.1)then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:128:17: 128 | integer i,j,k,z,nn,iat,jat,i1,i2 | ^ note: 'j' was declared here nwpwxc_vdw3a.F:398:19: 398 | if(maxc6.and.k.lt.1)then | ^ Warning: 'k' may be used uninitialized [-Wmaybe-uninitialized] nwpwxc_vdw3a.F:128:19: 128 | integer i,j,k,z,nn,iat,jat,i1,i2 | ^ note: 'k' was declared here gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/depend.x -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -I/usr/local/include > dependencies Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a nwpwxc_block.o nwpwxc_add.o nwpwxc_query.o nwpwxc_nwchem.o nwpwxc_vdw3d.o nwpwxc_eval.o nwpwxc_x_att.o nwpwxc_x_b88.o nwpwxc_x_bnl.o nwpwxc_x_camb88.o nwpwxc_x_camlsd.o nwpwxc_x_campbe.o nwpwxc_x_cams12.o nwpwxc_x_dirac.o nwpwxc_x_gill.o nwpwxc_x_hse08.o nwpwxc_x_ft97.o nwpwxc_x_m05.o nwpwxc_x_m06.o nwpwxc_x_m11.o nwpwxc_x_opt.o nwpwxc_x_pbe.o nwpwxc_x_rpbe.o nwpwxc_x_pkzb99.o nwpwxc_x_s12.o nwpwxc_x_sogga.o nwpwxc_x_tpss03.o nwpwxc_x_wpbe.o nwpwxc_x_vs98.o nwpwxc_c_b95.o nwpwxc_c_ft97.o nwpwxc_c_lyp.o nwpwxc_c_m05.o nwpwxc_c_m06.o nwpwxc_c_m11.o nwpwxc_c_opt.o nwpwxc_c_p91.o nwpwxc_c_p91_vwn5.o nwpwxc_c_pw91lda.o nwpwxc_c_sogga.o nwpwxc_c_pbe.o nwpwxc_c_Mpbe.o nwpwxc_c_pkzb99.o nwpwxc_c_tpss03.o nwpwxc_c_vs98.o nwpwxc_c_lsda.o nwpwxc_c_vwn1.o nwpwxc_c_vwn1_rpa.o nwpwxc_c_vwn2.o nwpwxc_c_vwn3.o nwpwxc_c_vwn4.o nwpwxc_c_vwn5.o nwpwxc_c_op.o nwpwxc_cs00.o nwpwxc_vdw3b.o nwpwxc_vdw3c.o nwpwxcP_xc_b97.o nwpwxc_x_b97.o nwpwxc_c_b97.o nwpwxc_xc_kt1.o nwpwxc_c_spbe.o nwpwxc_x_ssbD_1.o nwpwxc_c_perdew81.o nwpwxc_c_perdew86.o nwpwxc_x_pw91.o nwpwxc_x_pw6.o nwpwxc_x_b86b.o nwpwxc_x_scan.o nwpwxc_c_scan.o nwpwxc_vdw3a.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib/nwpwxc' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/nwpwlib' Making all in libraryps gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/libraryps' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/libraryps' Compiling nwpw_library.F... nwpw_library.F:155:72: 155 | keyread=line(sqptr_l+1:sqptr_r-1) | ^ Warning: 'sqptr_r' may be used uninitialized [-Wmaybe-uninitialized] nwpw_library.F:116:38: 116 | integer l_lgth,i,sqptr_l,sqptr_r,k_lgth | ^ note: 'sqptr_r' was declared here Compiling nwpw_libfile.F... Compiling nwpw_set_library.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/libraryps' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/libraryps' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a nwpw_library.o nwpw_libfile.o nwpw_set_library.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpwlib.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/libraryps' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/libraryps' Making all in pspw gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw' Compiling task_pspw.F... Making all in lib gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib' Making all in psi gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psi' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psi' Compiling dipole.F... Compiling dipole_efield.F... Compiling orthocheck.f... Compiling psi.F... psi.F:5852:40: 5606 | > rho,dbl_mb(rho_ptr)) | 2 ...... 5852 | > dcpl_mb(psi2(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:5853:40: 5606 | > rho,dbl_mb(rho_ptr)) | 2 ...... 5853 | > dcpl_mb(psi1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:1151:43: 1151 | call Pack_c_Copy(1,dcpl_mb(psig_ptr),dbl_mb(psig_r(1))) | 1 ...... 12122 | call Pack_c_Copy(1,dcpl_mb(psii_ptr),orbi) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:1183:72: 1183 | > dbl_mb(hpsig_r(1)),dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1202:72: 1202 | > dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1234:72: 1234 | > dbl_mb(hpsig_r(1)),dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1259:72: 1259 | > dbl_mb(hpsie_r(1))) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:1338:72: 1338 | > maxerror) | 1 Warning: Type mismatch in argument 'vcc' at (1); passed REAL(8) to COMPLEX(8) psi.F:3010:72: 3010 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3033:72: 3033 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,hpsie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3138:33: 1152 | call Pack_c_unpack(1,dbl_mb(psig_r(1))) | 2 ...... 3138 | call Pack_c_unpack(0,vcc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3139:33: 1153 | call D3dB_cr_fft3b(1,dbl_mb(psig_r(1))) | 2 ...... 3139 | call D3dB_cr_fft3b(1,vcc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3253:28: 3140 | call D3dB_r_Copy(1,vcc,vcgg) | 2 ...... 3253 | call D3dB_r_Copy(1,vcee,vc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3260:45: 3165 | call D3dB_rr_daxpy(1,-0.5d0,vcc,vcge) | 2 ...... 3260 | call D3dB_rr_daxpy(1,(-2.0d0*c1*c2),vctmp,vc) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:3363:31: 3363 | call Pack_c_SMul(1,scal1,vc,dEdpsie) | 1 ...... 5048 | > dcpl_mb(psi_ptr+(i-1)*npack1), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:2216:72: 2216 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2277:72: 2277 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,hpsig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2323:28: 2323 | call D3dB_c_Copy(1,vcc,vcee) | 1 ...... 3028 | call D3dB_c_Copy(1,psihomo_r,psig_r) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:3456:72: 3456 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,h1psig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3457:72: 3457 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2563:72: 2563 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,h1psig) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:2564:72: 2564 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:1940:72: 1940 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psig,psig_r,dEdpsie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:1941:72: 1941 | call psi_H1psi(ispin,neq,npack1,n2ft3d,psie,psie_r,h1psie) | 1 Warning: Type mismatch in argument 'h1psi' at (1); passed COMPLEX(8) to REAL(8) psi.F:3717:42: 3717 | > dbl_mb(v_field(1))) | 1 ...... 4333 | > 2*npack1,dcpl_mb(etmp(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:6628:42: 4492 | > dcpl_mb(psi1(1) +(i-1)*npack1), | 2 ...... 6628 | call Pack_cc_dot(0,dcpl_mb(dng1(1)),dbl_mb(vltmp(1)),elocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:10351:21: 4251 | call daxpy_omp(2*npack1,1.0d0,dcpl_mb(etmp(1)),1,Horb,1) | 2 ...... 10351 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:10351:39: 4251 | call daxpy_omp(2*npack1,1.0d0,dcpl_mb(etmp(1)),1,Horb,1) | 2 ...... 10351 | > dbl_mb(rho0(1)),1,dbl_mb(rho2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). psi.F:11404:50: 10499 | > mt_log,1,psi_nogrid)) | 2 ...... 11404 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). psi.F:11982:38: 3133 | call D3dB_r_SMul1(1,scal1,rhogg) | 2 ...... 11982 | call D3dB_r_SMul1(1,scal2,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11983:28: 3089 | call coulomb2_v(rhogg,vcgg) | 2 ...... 11983 | call coulomb2_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11983:45: 3089 | call coulomb2_v(rhogg,vcgg) | 2 ...... 11983 | call coulomb2_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11990:33: 3134 | call D3dB_rc_fft3f(1,rhogg) | 2 ...... 11990 | call D3dB_rc_fft3f(1,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11991:31: 3135 | call Pack_c_pack(0,rhogg) | 2 ...... 11991 | call Pack_c_pack(0,dcpl_mb(dnij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11993:27: 3137 | call coulomb_v(rhogg,vcc) | 2 ...... 11993 | call coulomb_v(dcpl_mb(dnij(1)),dcpl_mb(vhij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:11997:36: 3162 | call coulomb_screened_v(rhoge,vcc) | 2 ...... 11997 | call coulomb_screened_v(dcpl_mb(dnij(1)),dcpl_mb(vij(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:12018:34: 3094 | call D3dB_rr_dot(1,rhogg,vcgg,ehartr) | 2 ...... 12018 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:12018:51: 3094 | call D3dB_rr_dot(1,rhogg,vcgg,ehartr) | 2 ...... 12018 | call D3dB_rr_dot(1,dcpl_mb(dnij(1)),dcpl_mb(vij(1)),e2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi.F:10902:72: 10902 | return | ^ Warning: '__result_psi_2epsi_gradients' is used uninitialized [-Wuninitialized] psi.F:10847:42: 10847 | logical function psi_2epsi_gradients(gn) | ^ note: '__result_psi_2epsi_gradients' was declared here psi.F:2954:27: 2954 | real*8 ehfx,phfx,Eion | ^ Warning: 'eion' may be used uninitialized [-Wmaybe-uninitialized] psi.F:2514:27: 2514 | real*8 ehfx,phfx,Eion | ^ Warning: 'eion' may be used uninitialized [-Wmaybe-uninitialized] Compiling psi_spin2.F... Compiling geodesic.F... Compiling geodesic2.F... Compiling Grassman.F... Grassman.F:805:21: 142 | call ycopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call ycopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Grassman.F:805:29: 142 | call ycopy(2*n*nfft3d,A,1,C,1) | 2 ...... 805 | call ycopy(n*n,0.0d0,0,MM,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling psi_dmatrix.F... psi_dmatrix.F:338:20: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 338 | call ycopy(nn,0.0d0,0,dbl_mb(v0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psi_dmatrix.F:269:22: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) | 2 ...... 269 | call ycopy(np_i,0.0d0,0,dbl_mb(maxsum0(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling psi_read.F... psi_read.F:93:25: 92 | call iread(5,version,1) | 2 93 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:96:25: 92 | call iread(5,version,1) | 2 ...... 96 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:117:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 117 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:123:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 123 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:290:22: 92 | call iread(5,version,1) | 2 ...... 290 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:293:22: 92 | call iread(5,version,1) | 2 ...... 293 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:301:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 301 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:307:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 307 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:472:22: 92 | call iread(5,version,1) | 2 ...... 472 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:475:22: 92 | call iread(5,version,1) | 2 ...... 475 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:483:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 483 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:489:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 489 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:655:22: 92 | call iread(5,version,1) | 2 ...... 655 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:658:22: 92 | call iread(5,version,1) | 2 ...... 658 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:667:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 667 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read.F:673:56: 108 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 673 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_write.F... psi_write.F:105:26: 104 | call iwrite(6,version,1) | 2 105 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:108:26: 104 | call iwrite(6,version,1) | 2 ...... 108 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:264:26: 104 | call iwrite(6,version,1) | 2 ...... 264 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:267:26: 104 | call iwrite(6,version,1) | 2 ...... 267 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:425:26: 104 | call iwrite(6,version,1) | 2 ...... 425 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:428:26: 104 | call iwrite(6,version,1) | 2 ...... 428 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:583:26: 104 | call iwrite(6,version,1) | 2 ...... 583 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write.F:586:26: 104 | call iwrite(6,version,1) | 2 ...... 586 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_write.F... rho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling rho_read.F... rho_read.F:82:25: 81 | call iread(5,version,1) | 2 82 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rho_read.F:104:56: 95 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 104 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_read.F... v_psi_read.F:89:22: 88 | call iread(5,version,1) | 2 89 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:92:22: 88 | call iread(5,version,1) | 2 ...... 92 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:100:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 99 | msglen = 3 100 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_read.F:107:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 107 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_psi_write.F... v_psi_write.F:101:26: 100 | call iwrite(6,version,1) | 2 101 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_psi_write.F:104:26: 100 | call iwrite(6,version,1) | 2 ...... 104 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_new.F... psi_new.F:138:42: 134 | > 'nwpw:lcao_iterations',mt_int,1,lcao_iterations)) | 2 ...... 138 | > 'nwpw:lcao_print',mt_log,1,lcao_print)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling v_psi_new.F... Compiling psi_history.F... Compiling psi_write_filename.F... psi_write_filename.F:92:26: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:95:26: 91 | call iwrite(6,version,1) | 2 ...... 95 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:243:26: 91 | call iwrite(6,version,1) | 2 ...... 243 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_write_filename.F:246:26: 91 | call iwrite(6,version,1) | 2 ...... 246 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_read_filename.F... psi_read_filename.F:76:22: 75 | call iread(5,version,1) | 2 76 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:79:22: 75 | call iread(5,version,1) | 2 ...... 79 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:87:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 86 | msglen = 3 87 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:93:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 93 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:235:25: 75 | call iread(5,version,1) | 2 ...... 235 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:238:25: 75 | call iread(5,version,1) | 2 ...... 238 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:259:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 259 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psi_read_filename.F:265:56: 85 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 265 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling polarizability.F... Compiling berry_phase_pol.F... Compiling rho_symmetrizer.F... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psi' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psi' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a dipole.o dipole_efield.o orthocheck.o psi.o psi_spin2.o geodesic.o geodesic2.o Grassman.o psi_dmatrix.o psi_read.o psi_write.o rho_write.o rho_read.o v_psi_read.o v_psi_write.o psi_new.o v_psi_new.o psi_history.o psi_write_filename.o psi_read_filename.o polarizability.o berry_phase_pol.o rho_symmetrizer.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psi' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psi' Making all in electron gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/electron' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/electron' Compiling psi_H.F... psi_H.F:113:42: 107 | > dbl_mb(Hpsi_r(1))) | 2 ...... 113 | > 2*nfft3d,dcpl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_H.F:107:72: 107 | > dbl_mb(Hpsi_r(1))) | ^ Warning: 'hpsi_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:62:39: 62 | integer vall(2),vpsi(2),Hpsi_r(2) | ^ note: 'hpsi_r' declared here psi_H.F:583:72: 583 | call D3dB_r_Zero(1,dbl_mb(Horb_r(1))) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:555:31: 555 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here psi_H.F:755:72: 755 | call D3dB_r_Zero(1,dbl_mb(Horb_r(1))) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] psi_H.F:726:31: 726 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here Compiling psi_Hv4.F... psi_Hv4.F:112:39: 104 | > dbl_mb(Hpsi_r(1))) | 2 ...... 112 | > dcpl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_Hv4.F:611:34: 608 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(Horb_r(1)),1) | 2 ...... 611 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(vpsi(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_Hv4.F:104:72: 104 | > dbl_mb(Hpsi_r(1))) | ^ Warning: 'hpsi_r' may be used uninitialized [-Wmaybe-uninitialized] psi_Hv4.F:66:39: 66 | integer vall(2),vpsi(2),Hpsi_r(2) | ^ note: 'hpsi_r' declared here psi_Hv4.F:953:72: 953 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(vpsi(1)),1) | ^ Warning: 'vpsi' may be used uninitialized [-Wmaybe-uninitialized] psi_Hv4.F:930:29: 930 | integer vall(2),vpsi(2),Hpsi_r(2) | ^ note: 'vpsi' declared here Compiling electron.F... electron.F:2375:25: 2143 | call Pack_c_Copy(1,psi_k(1+(n-1)*npack1), | 2 ...... 2375 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2375:41: 2144 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 2375 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:477:22: 477 | > dbl_mb(xce(1)), | 1 ...... 977 | > dcpl_mb(vc(1)), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2475:29: 2450 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 2475 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). electron.F:2636:28: 1369 | > dcpl_mb(Hpsi_k(1)), | 2 ...... 2636 | > 4*nfft3d,dbl_mb(vall(1)),vall_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2636:44: 1370 | > Hpsi_k_new) | 2 ...... 2636 | > 4*nfft3d,dbl_mb(vall(1)),vall_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). electron.F:2775:51: 2200 | call Parallel_shared_vector_zero(.true.,2*n2ft3d,dn) | 2 ...... 2775 | > 2*npack0,dcpl_mb(vc(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/electron' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/electron' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a psi_H.o psi_Hv4.o electron.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/electron' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/electron' Making all in ke gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ke' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ke' Compiling ke.F... ke.F:476:72: 476 | if (.not. value) call errquit('out of stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_10' at (1) ke.F:557:72: 557 | if (.not. value) call errquit('error popping stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_10' at (1) gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ke' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ke' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a ke.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ke' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ke' Making all in coulomb gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' Compiling coulomb.F... Compiling coulomb2.F... coulomb2.F:399:27: 285 | call D3dB_rc_fft3f(2,dbl_mb(glr(1))) | 2 ...... 399 | call D3dB_rc_fft3f(2,dcpl_mb(tmpx(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling coulomb_screened.F... coulomb_screened.F:83:32: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 83 | call ycopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened.F:801:72: 801 | call sub_coulomb_screened_init_print(dcpl_mb(tmp1(1)),rcut,pp) | 1 Warning: Type mismatch in argument 'vc' at (1); passed COMPLEX(8) to REAL(8) coulomb_screened.F:1051:24: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 1051 | call ycopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). coulomb_screened.F:1080:32: 149 | call D3dB_r_SMul1(1,scal1,dcpl_mb(gk(1))) | 2 ...... 1080 | call D3dB_r_SMul1(1,scal1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling coulomb_screened_small.F... coulomb_screened_small.F:83:32: 82 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 83 | call ycopy(nfft3d,0.0d0,0,dbl_mb(gk2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). coulomb_screened_small.F:521:25: 471 | call Pack_ct_Sqr(2,dng,dbl_mb(tmp1(1))) | 2 ...... 521 | call Pack_ct_Sqr(2,dng,real_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(4)/COMPLEX(8)). coulomb_screened_small.F:521:29: 471 | call Pack_ct_Sqr(2,dng,dbl_mb(tmp1(1))) | 2 ...... 521 | call Pack_ct_Sqr(2,dng,real_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:25: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:42: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). coulomb_screened_small.F:522:60: 472 | call Pack_tt_dot(2,dbl_mb(tmp1(1)),dbl_mb(vc_indx),ec) | 2 ...... 522 | call Pack_tt_dot(2,real_mb(tmp1(1)),real_mb(svc_indx),ec) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/REAL(8)). Compiling coulomb_filter.F... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a coulomb.o coulomb2.o coulomb_screened.o coulomb_screened_small.o coulomb_filter.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/coulomb' Making all in exchange-correlation gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' Compiling v_bwexc_all.F... Compiling v_exc.F... Compiling v_dirac.F... Compiling v_mexc.F... v_mexc.F:387:72: 387 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_mexc.F:41:36: 41 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here v_mexc.F:373:72: 373 | agr(1) = xagr(1) | ^ Warning: 'xagr' may be used uninitialized [-Wmaybe-uninitialized] v_mexc.F:41:21: 41 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xagr' declared here Compiling v_bwexc.F... v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fn' declared here v_bwexc.F:85:72: 85 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) | ^ note: 'fdn' declared here v_bwexc.F:324:72: 324 | rhoup(1) = grad(1) | ^ Warning: 'grad' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:41:30: 41 | integer grad(2) | ^ note: 'grad' declared here v_bwexc.F:328:72: 328 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here v_bwexc.F:332:72: 332 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:36: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here v_bwexc.F:319:72: 319 | agr(1) = xagr(1) | ^ Warning: 'xagr' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc.F:42:21: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xagr' declared here Compiling v_bwexc_euv.F... v_bwexc_euv.F:94:72: 94 | tmp(1) = fdn(1) | ^ Warning: 'fdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:36:33: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2),xce(2) | ^ note: 'fdn' declared here v_bwexc_euv.F:394:72: 394 | fn(1) = xfn(1) | ^ Warning: 'xfn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:28: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfn' declared here v_bwexc_euv.F:398:72: 398 | fdn(1) = xfdn(1) | ^ Warning: 'xfdn' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:36: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here v_bwexc_euv.F:385:72: 385 | agr(1) = xagr(1) | ^ Warning: 'xagr' may be used uninitialized [-Wmaybe-uninitialized] v_bwexc_euv.F:42:21: 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xagr' declared here Compiling nwpw_meta_gga.F... nwpw_meta_gga.F:163:39: 45 | > dbl_mb(dfdtau(1))) | 2 ...... 163 | > dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). nwpw_meta_gga.F:290:36: 190 | call D3dB_r_Zero_Ends(1,dbl_mb(tau(1)+(ms-1)*n2ft3d)) | 2 ...... 290 | call D3dB_r_Zero_Ends(1,dcpl_mb(dpsi(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pbe96.f... Compiling pbesol.f... Compiling revpbe.f... Compiling blyp.f... Compiling b3lyp.F... Compiling bnl2007_x.F... Compiling hsepbe.F... Compiling beef_gga.f... Compiling pw92c.f... Compiling vs98.f... Compiling tpss03.f... Compiling scan.f... Compiling r2scan.f... Compiling pw91c.f... Compiling pbe96x.f... Compiling pbe96c.f... Compiling m06.f... Compiling m06-l.f... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' Making all in vdw-DF gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' gmake[6]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling vdw-DF.F... vdw-DF.F:609:43: 609 | call D1dB_Vector_SumAll(2*Nqs*nfft3d,ufunc) | 1 ...... 683 | call D1dB_Vector_SumAll(n2ft3d,tmpexc) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'theta' at (1); passed REAL(8) to COMPLEX(8) vdw-DF.F:358:72: 358 | > dbl_mb(theta(1)),dbl_mb(ufunc(1))) | 1 Warning: Type mismatch in argument 'ufunc' at (1); passed REAL(8) to COMPLEX(8) Compiling vdw_DF_kernel.F... Compiling vdw_DF_get_qmesh_filename.F... gmake[6]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' gmake[6]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a vdw-DF.o vdw_DF_kernel.o vdw_DF_get_qmesh_filename.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[6]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a v_bwexc_all.o v_exc.o v_dirac.o v_mexc.o v_bwexc.o v_bwexc_euv.o nwpw_meta_gga.o pbe96.o pbesol.o revpbe.o blyp.o b3lyp.o bnl2007_x.o hsepbe.o beef_gga.o pw92c.o vs98.o tpss03.o scan.o r2scan.o pw91c.o pbe96x.o pbe96c.o m06.o m06-l.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/exchange-correlation' Making all in sic gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/sic' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/sic' Compiling pspw_sic.F... pspw_sic.F:92:37: 34 | if (.not.btdb_get(rtdb,'pspw:SIC_all',mt_log,1,sicall)) | 2 ...... 92 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/sic' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/sic' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a pspw_sic.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/sic' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/sic' Making all in hfx gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' Compiling pspw_hfx.F... pspw_hfx.F:99:37: 46 | if (.not.btdb_get(rtdb,'pspw:HFX',mt_log,1,hfx_on)) | 2 ...... 99 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling pspw_shfx.F... pspw_shfx.F:946:72: 946 | > real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:948:72: 948 | > real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:950:72: 950 | > real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:952:72: 952 | > real_mb(tmp2(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:993:35: 993 | call D3dBs_r_SMul1(1,hfx_parameter,real_mb(vij(1))) | 1 ...... 1530 | call D3dBs_r_SMul1(1,scal2,real_mb(dn(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). pspw_shfx.F:795:72: 795 | > 2*n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:797:72: 797 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:403:72: 403 | > n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:405:72: 405 | > n2ft3d,real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:407:72: 407 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:409:72: 409 | > n2ft3d,real_mb(tmp2(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1106:72: 1106 | > n2ft3d,real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1108:72: 1108 | > n2ft3d,real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1110:72: 1110 | > n2ft3d,real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:39:72: 39 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:121:72: 121 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:182:72: 182 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:258:72: 258 | > real_mb(dn(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:260:72: 260 | > real_mb(vij(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:262:72: 262 | > real_mb(tmp1(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1367:72: 1367 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_114' at (1) pspw_shfx.F:1373:23: 103 | > Hpsi_r(1+(ms-1)*neq(1)*n2ft3d),1) | 2 ...... 1373 | > Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/REAL(4)). pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'orb_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1376:72: 1376 | call pspw_potential_sHFX_orb_sub(ms,psi_r,orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'horb_r' at (1); passed REAL(8) to REAL(4) pspw_shfx.F:1418:72: 1418 | > real_mb(psi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) pspw_shfx.F:1420:72: 1420 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) Compiling pspw_hfx_localized.F... pspw_hfx_localized.F:306:23: 296 | > psi_r,1, | 2 ...... 306 | > psi1,1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_hfx_localized.F:481:36: 296 | > psi_r,1, | 2 ...... 481 | call ycopy(3*(ne(1)+ne(2)),0.0d0,0,dbl_mb(rwav(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_hfx_localized.F:727:53: 293 | call Dneall_mm_transpose(0,dbl_mb(rotmat21(1)),dcpl_mb(A(1))) | 2 ...... 727 | call Dneall_mm_transpose(0,dbl_mb(tmat1(1)),dbl_mb(tmat2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_hfx_localized.F:732:36: 300 | > dcpl_mb(A(1)),1.0d0, | 2 ...... 732 | > dbl_mb(tmat2(1)), 1.0d0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a pspw_hfx.o pspw_shfx.o pspw_hfx_localized.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/hfx' Making all in ion gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ion' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ion' Compiling ion_ion.F... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ion' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ion' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a ion_ion.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ion' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/ion' Making all in psp gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psp' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psp' Compiling MOTION.F... Compiling psp.F... psp.F:4339:22: 4337 | call iread(5,psp_type,1) | 2 4338 | call iread(5,version,1) 4339 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4342:22: 4340 | call dread(5,unita,9) | 2 4341 | call cread(5,atom,2) 4342 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4343:22: 4340 | call dread(5,unita,9) | 2 ...... 4343 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4353:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4353 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4354:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4354 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4355:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4355 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4356:22: 4337 | call iread(5,psp_type,1) | 2 ...... 4356 | call iread(5,b_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4365:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4365 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4372:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4372 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4377:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4377 | call Parallela_Brdcst_values(com_p,MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4379:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4379 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4398:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4398 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4399:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4399 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4400:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4400 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4401:56: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4401 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,b_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4423:40: 4340 | call dread(5,unita,9) | 2 ...... 4423 | if (version.eq.4) call dread(5,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4424:22: 4340 | call dread(5,unita,9) | 2 ...... 4424 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4427:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4427 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rlocal) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4429:55: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4429 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4473:45: 4340 | call dread(5,unita,9) | 2 ...... 4473 | if (taskid_p.eq.MASTER) call dread(5,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4474:45: 4340 | call dread(5,unita,9) | 2 ...... 4474 | if (taskid_p.eq.MASTER) call dread(5,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4477:37: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4477 | > core_kin_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4479:37: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4479 | > core_ion_energy) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4484:24: 4340 | call dread(5,unita,9) | 2 ...... 4484 | call dread(5,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4485:24: 4340 | call dread(5,unita,9) | 2 ...... 4485 | call dread(5,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4486:24: 4340 | call dread(5,unita,9) | 2 ...... 4486 | call dread(5,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4487:24: 4340 | call dread(5,unita,9) | 2 ...... 4487 | call dread(5,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4488:24: 4340 | call dread(5,unita,9) | 2 ...... 4488 | call dread(5,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4493:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4493 | call Parallela_Brdcst_values(com_p,MASTER,msglen,log_amesh) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4494:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4494 | call Parallela_Brdcst_values(com_p,MASTER,msglen,r1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4495:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4495 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rmax) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4496:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4496 | call Parallela_Brdcst_values(com_p,MASTER,msglen,sigma) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4497:57: 4367 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 4497 | call Parallela_Brdcst_values(com_p,MASTER,msglen,zion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) psp.F:4515:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4515 | if (taskid_p.eq.MASTER) call iread(5,nae,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4516:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4516 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nae) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4518:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4518 | if (taskid_p.eq.MASTER) call iread(5,nps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4519:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4519 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,nps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4521:45: 4337 | call iread(5,psp_type,1) | 2 ...... 4521 | if (taskid_p.eq.MASTER) call iread(5,lps,n1dbasis) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:4522:60: 4362 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 4522 | call Parallela_Brdcst_ivalues(com_p,MASTER,n1dbasis,lps) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp.F:1968:55: 1968 | call Parallel_shared_vector_zero(.true.,2*npack0,vl_out) | 1 ...... 3635 | call Parallel_shared_vector_zero(.true.,nn*nprj,sw2) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2047:42: 1887 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_out) | 2 ...... 2047 | call D1dB_Vector_SumAll(2*npack0,vl_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:2941:36: 218 | call ycopy(npsp*npack0, 0.0d0,0,dbl_mb(vl(1)), 1) | 2 ...... 2941 | call ycopy((2*npack0),0.0d0,0,dcpl_mb(vtmp(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psp.F:4812:72: 4812 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) psp.F:2033:72: 2033 | > dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here psp.F:2035:72: 2035 | > dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here psp.F:2037:72: 2037 | > dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:1921:41: 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[0]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[1]' was declared here psp.F:3537:72: 3537 | > dbl_mb(sum(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3223:18: 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[2]' was declared here Compiling psp_olddebug.F... psp_olddebug.F:227:72: 227 | > dbl_mb(sum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here psp_olddebug.F:229:72: 229 | > dbl_mb(sum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_olddebug.F:231:72: 231 | > dbl_mb(sum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_olddebug.F:35:18: 35 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here Compiling psp_cmp_dE_Qlm.F... Compiling paw.F... paw.F:379:72: 379 | > dbl_mb(psp_fmm_Mlm(1)),1) | 1 Warning: More actual than formal arguments in procedure call at (1) paw.F:591:56: 374 | call Parallel_shared_vector_zero(.true.,3*nion,dbl_mb(ftmp(1))) | 2 ...... 591 | call Parallel_shared_vector_zero(.false.,2*npack0,vl_paw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:287:56: 287 | if (np_j.gt.1) call D1dB_Vector_SumAll(n2ft3d_map,vlr_paw) | 1 ...... 642 | call D1dB_Vector_SumAll(2*npack0,vl_paw) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:1156:36: 856 | call ycopy(3*nion,0.0d0,0,dbl_mb(ftmp(1)),1) | 2 ...... 1156 | call ycopy((4*npack0),0.0d0,0,vlpaw_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw.F:2928:50: 2863 | call nwpw_compcharge_gen_dn_cmp(ispin,dcpl_mb(dng_cmp(1))) | 2 ...... 2928 | call nwpw_compcharge_gen_dn_cmp(ispin,dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2931:25: 2865 | call v_local(dcpl_mb(vl1(1)), | 2 ...... 2931 | call v_local(dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2934:31: 2868 | call Pack_cc_dot(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2934 | call Pack_cc_dot(0,dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2935:31: 2869 | > dcpl_mb(vl1(1)),eh) | 2 ...... 2935 | > dbl_mb(vl1(1)),eh) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2961:35: 753 | call Pack_c_SMul1(0,lmbda,dcpl_mb(vtmp(1))) | 2 ...... 2961 | call Pack_c_SMul1(0,dv,dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2970:72: 2970 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:2972:30: 2881 | call Pack_cc_Sum2(0,dcpl_mb(dng_cmp(1)), | 2 ...... 2972 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2973:30: 2882 | > dcpl_mb(vl_notpaw(1))) | 2 ...... 2973 | > dbl_mb(vl_notpaw(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2979:45: 2884 | > dcpl_mb(dng_cmp(1)), | 2 ...... 2979 | > dbl_mb(rho_cmp(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:2980:45: 2885 | > dcpl_mb(dng_cmp_smooth(1))) | 2 ...... 2980 | > dbl_mb(rho_cmp_smooth(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3149:53: 3068 | > dcpl_mb(vl1(1)), | 2 ...... 3149 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3174:72: 3174 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3184:50: 3085 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 3184 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3185:50: 3086 | > dcpl_mb(vl1(1)), | 2 ...... 3185 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:3193:72: 3193 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4476:72: 4476 | > dbl_mb(rho_cmp(1))) | 1 Warning: Type mismatch in argument 'vl_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4486:50: 4389 | > dcpl_mb(vl_notpaw(1)), | 2 ...... 4486 | > dbl_mb(vl_notpaw(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4487:50: 4390 | > dcpl_mb(vl1(1)), | 2 ...... 4487 | > dbl_mb(vl1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_paw' at (1); passed REAL(8) to COMPLEX(8) paw.F:4495:72: 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) paw.F:1195:72: 1195 | call Pack_tt_idot(0,dbl_mb(G(1)),dbl_mb(xtmp(1)),fion(1,ii)) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[0]' was declared here paw.F:1196:72: 1196 | call Pack_tt_idot(0,dbl_mb(G(2)),dbl_mb(xtmp(1)),fion(2,ii)) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[1]' was declared here paw.F:1197:72: 1197 | call Pack_tt_idot(0,dbl_mb(G(3)),dbl_mb(xtmp(1)),fion(3,ii)) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] paw.F:1120:41: 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here paw.F:3461:72: 3461 | rholm_ae(ig,ms,lm) = taunt*rholm_ae(ig,ms,1) | ^ Warning: 'taunt' may be used uninitialized [-Wmaybe-uninitialized] paw.F:3420:23: 3420 | real*8 wij,taunt | ^ note: 'taunt' was declared here Compiling psp_stress.F... psp_stress.F:558:22: 557 | call iread(5,version,1) | 2 558 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) psp_stress.F:705:72: 705 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) Compiling semicore.F... semicore.F:549:32: 525 | call ycopy(nfft3d,dbl_mb(G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 549 | call ycopy(n2ft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). semicore.F:573:32: 573 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 ...... 773 | call Pack_c_unpack(0,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:575:32: 575 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 ...... 759 | call D3dB_cr_fft3b(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:255:31: 255 | call D3dB_rr_Sqr1(1,dcpl_mb(tmp(1))) | 1 ...... 781 | call D3dB_rr_Sqr1(1,dbl_mb(tmp1(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:348:30: 348 | call D3dB_r_dsum(1,dcpl_mb(tmp(1)),sum) | 1 ...... 762 | call D3dB_r_dsum(1,dbl_mb(tmp1(1)),ss) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:841:24: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). semicore.F:841:30: 593 | call D3dB_r_SMul1(1,scal2*scal2,Aus) | 2 ...... 841 | call D3dB_r_SMul1(scal2,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). semicore.F:854:25: 772 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 2 ...... 854 | call Pack_c_pack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling semicore_force.F... Compiling psp_U.F... psp_U.F:825:72: 825 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:817:38: 817 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_U.F:825:72: 825 | density_total = density(1)+density(ispin) | ^ Warning: 'density' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:817:38: 817 | real*8 density_total,density(2),edftu1,pdftu1 | ^ note: 'density' declared here psp_U.F:394:72: 394 | > dbl_mb(asum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[0]' was declared here psp_U.F:396:72: 396 | > dbl_mb(asum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[1]' was declared here psp_U.F:398:72: 398 | > dbl_mb(asum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] psp_U.F:200:18: 200 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was declared here Compiling psp_ld.F... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psp' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psp' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a MOTION.o psp.o psp_olddebug.o psp_cmp_dE_Qlm.o paw.o psp_stress.o semicore.o semicore_force.o psp_U.o psp_ld.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psp' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/psp' Making all in Grsm_list gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' Compiling pspw_Grsm_list.F... Compiling pspw_lmbfgs.F... pspw_lmbfgs.F:91:36: 66 | call DSCAL_OMP(ngras,(-1.0d0),g,1) | 2 ...... 91 | call DSCAL_OMP(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:93:40: 30 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 93 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:111:25: 99 | > dbl_mb(ss(1)), | 2 ...... 111 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs.F:116:39: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs.F:116:55: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 116 | call DAXPY_OMP(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_lmbfgs2.F... pspw_lmbfgs2.F:83:32: 59 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 83 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:85:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 85 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:97:25: 91 | > dbl_mb(ss(1)), | 2 ...... 97 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_lmbfgs2.F:102:35: 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs2.F:102:51: 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_lmbfgs3.F... pspw_lmbfgs3.F:80:40: 26 | call pspw_Grsm_list_store(2*m-1,g) | 2 ...... 80 | call pspw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_lmbfgs3.F:93:25: 86 | > dbl_mb(ss(1)), | 2 ...... 93 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_diis.F... pspw_diis.F:78:26: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 78 | call ycopy(max_list,d,1,c,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_diis.F:79:35: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) | 2 ...... 79 | call ycopy(max_list*max_list,B,1,A,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling pspw_rmmdiis.F... pspw_rmmdiis.F:144:41: 66 | call yaxpy(ngras,lambda,residual0,1,psi,1) | 2 ...... 144 | call yaxpy(ngras, alpha(i),dbl_mb(ri(1)),1,psi_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_rmmdiis.F:149:25: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_rmmdiis.F:149:33: 111 | call Pack_cc_dot(1,dbl_mb(ri(1)),dbl_mb(rj(1)),alpha(indx)) | 2 ...... 149 | call Pack_cc_dot(1,psi_out,psi_out,w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a pspw_Grsm_list.o pspw_lmbfgs.o pspw_lmbfgs2.o pspw_lmbfgs3.o pspw_diis.o pspw_rmmdiis.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/Grsm_list' Making all in aorbs gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' Compiling aorbs.F... aorbs.F:553:22: 552 | call iread(5,version,1) | 2 553 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:558:22: 554 | call dread(5,unita,9) | 2 ...... 558 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:559:22: 554 | call dread(5,unita,9) | 2 ...... 559 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:567:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 566 | msglen = 3 567 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:574:56: 565 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 574 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aorbs.F:581:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 581 | call Parallela_Brdcst_values(com_p,MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:582:55: 569 | call Parallela_Brdcst_values(com_p,MASTER,msglen,unita) | 2 ...... 582 | call Parallela_Brdcst_values(com_p,MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aorbs.F:687:72: 687 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a aorbs.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/aorbs' Making all in truncating_function gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' Compiling truncating_function.F... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a truncating_function.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib/truncating_function' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lib' Making all in kbpp gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/kbpp' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/kbpp' Compiling psp_formatter_input.F... psp_formatter_input.F:238:36: 192 | > mt_int,1,kbpp_number)) | 2 ...... 238 | > mt_dbl,1,rlocal)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling psp_formatter.F... psp_formatter.F:78:33: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 78 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). psp_formatter.F:98:58: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 98 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psp_stress_formatter.F... psp_stress_formatter.F:79:33: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 79 | > mt_dbl,1,rlocal) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). psp_stress_formatter.F:108:58: 41 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) | 2 ...... 108 | value = value.and.btdb_get(rtdb,rtdb_ngrid,mt_int,3,ngrid) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pawppv1.F... pawppv1.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:426:23: 424 | call iwrite(2,psp_type,1) | 2 425 | call iwrite(2,version,1) 426 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pawppv1.F:430:23: 427 | call dwrite(2,unita,9) | 2 ...... 430 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:431:23: 427 | call dwrite(2,unita,9) | 2 ...... 431 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:448:41: 427 | call dwrite(2,unita,9) | 2 ...... 448 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:450:23: 427 | call dwrite(2,unita,9) | 2 ...... 450 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:461:23: 427 | call dwrite(2,unita,9) | 2 ...... 461 | call dwrite(2,core_kin_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:462:23: 427 | call dwrite(2,unita,9) | 2 ...... 462 | call dwrite(2,core_ion_energy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:467:23: 427 | call dwrite(2,unita,9) | 2 ...... 467 | call dwrite(2,log_amesh,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:468:23: 427 | call dwrite(2,unita,9) | 2 ...... 468 | call dwrite(2,r1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:469:23: 427 | call dwrite(2,unita,9) | 2 ...... 469 | call dwrite(2,rmax,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:470:23: 427 | call dwrite(2,unita,9) | 2 ...... 470 | call dwrite(2,sigma,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pawppv1.F:471:23: 427 | call dwrite(2,unita,9) | 2 ...... 471 | call dwrite(2,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling hghppv1.F... hghppv1.F:121:27: 116 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 121 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hghppv1.F:359:23: 357 | call iwrite(2,psp_type,1) | 2 358 | call iwrite(2,version,1) 359 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghppv1.F:362:23: 360 | call dwrite(2,unita,9) | 2 361 | call cwrite(2,atom,2) 362 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:363:23: 360 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:380:41: 360 | call dwrite(2,unita,9) | 2 ...... 380 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghppv1.F:382:23: 360 | call dwrite(2,unita,9) | 2 ...... 382 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling HGH_local.F... Compiling HGH_nonlocal.F... Compiling Tesseral.F... Compiling kbppv3.F... kbppv3.F:110:48: 102 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 110 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:371:23: 369 | call iwrite(2,psp_type,1) | 2 370 | call iwrite(2,version,1) 371 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3.F:374:23: 372 | call dwrite(2,unita,9) | 2 373 | call cwrite(2,atom,2) 374 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:375:23: 372 | call dwrite(2,unita,9) | 2 ...... 375 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:392:41: 372 | call dwrite(2,unita,9) | 2 ...... 392 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3.F:393:23: 372 | call dwrite(2,unita,9) | 2 ...... 393 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3-stress.F... kbppv3-stress.F:100:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 99 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 100 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbppv3-stress.F:104:27: 98 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 104 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3-stress.F:322:23: 321 | call iwrite(2,version,1) | 2 322 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling setup_kbpp.f... Compiling kbpp_ray.F... Compiling integrate_kbppv3.f... Compiling integrate_kbppv3_new.f... Compiling integrate_kbppv3_ray.f... Compiling integrate_stress.F... Compiling integrate_stress_new.F... Compiling integrate_stress_ray.F... Compiling aorbs_formatter.F... Compiling kbpp_orb.F... kbpp_orb.F:103:48: 96 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 103 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:275:23: 274 | call iwrite(2,version,1) | 2 275 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_orb.F:280:23: 276 | call dwrite(2,unita,9) | 2 ...... 280 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_orb.F:281:23: 276 | call dwrite(2,unita,9) | 2 ...... 281 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_orb.F... Compiling integrate_pawppv1.F... Compiling integrate_paw_ray.F... Compiling kbppv3d.F... kbppv3d.F:431:23: 429 | call iwrite(2,psp_type,1) | 2 430 | call iwrite(2,version,1) 431 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d.F:434:23: 432 | call dwrite(2,unita,9) | 2 433 | call cwrite(2,atom,2) 434 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:435:23: 432 | call dwrite(2,unita,9) | 2 ...... 435 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:452:41: 432 | call dwrite(2,unita,9) | 2 ...... 452 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3d.F:453:23: 432 | call dwrite(2,unita,9) | 2 ...... 453 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3d_stress.F... kbppv3d_stress.F:102:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 101 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 102 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbppv3d_stress.F:106:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 106 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3d_stress.F:321:23: 320 | call iwrite(2,version,1) | 2 321 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3d.f... Compiling integrate_d_stress.F... Compiling integrate_kbppv3d_new.f... Compiling integrate_d_stress_new.F... Compiling kbppv3e.F... kbppv3e.F:124:48: 115 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 124 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:125:49: 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 125 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:405:23: 403 | call iwrite(2,psp_type,1) | 2 404 | call iwrite(2,version,1) 405 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e.F:408:23: 406 | call dwrite(2,unita,9) | 2 407 | call cwrite(2,atom,2) 408 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:409:23: 406 | call dwrite(2,unita,9) | 2 ...... 409 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:425:41: 406 | call dwrite(2,unita,9) | 2 ...... 425 | if (version.eq.4) call dwrite(2,rlocal,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbppv3e.F:426:23: 406 | call dwrite(2,unita,9) | 2 ...... 426 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbppv3e_stress.F... kbppv3e_stress.F:112:48: 105 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 112 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:113:49: 107 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 113 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbppv3e_stress.F:342:23: 341 | call iwrite(2,version,1) | 2 342 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbppv3e.f... Compiling integrate_kbppv3e_new.f... Compiling integrate_kbppv3e_ray.f... Compiling integrate_e_stress.F... Compiling integrate_e_stress_new.F... Compiling integrate_e_stress_ray.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/kbpp' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/kbpp' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a psp_formatter_input.o psp_formatter.o psp_stress_formatter.o pawppv1.o hghppv1.o HGH_local.o HGH_nonlocal.o Tesseral.o kbppv3.o kbppv3-stress.o setup_kbpp.o kbpp_ray.o integrate_kbppv3.o integrate_kbppv3_new.o integrate_kbppv3_ray.o integrate_stress.o integrate_stress_new.o integrate_stress_ray.o aorbs_formatter.o kbpp_orb.o integrate_kbpp_orb.o integrate_pawppv1.o integrate_paw_ray.o kbppv3d.o kbppv3d_stress.o integrate_kbppv3d.o integrate_d_stress.o integrate_kbppv3d_new.o integrate_d_stress_new.o kbppv3e.o kbppv3e_stress.o integrate_kbppv3e.o integrate_kbppv3e_new.o integrate_kbppv3e_ray.o integrate_e_stress.o integrate_e_stress_new.o integrate_e_stress_ray.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/kbpp' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/kbpp' Making all in makepsi gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/makepsi' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/makepsi' Compiling wvfnc_init_input.F... wvfnc_init_input.F:244:43: 234 | > mt_int,1,nup)) | 2 ...... 244 | > mt_int,(4*nup+1),up_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:249:45: 234 | > mt_int,1,nup)) | 2 ...... 249 | > mt_int,(4*ndown+1),down_filling)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) wvfnc_init_input.F:254:35: 234 | > mt_int,1,nup)) | 2 ...... 254 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling wvfnc_init.F... wvfnc_init.F:56:57: 50 | value = btdb_get(rtdb,'wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 56 | value = btdb_get(rtdb,'wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). wvfnc_init.F:115:20: 114 | call iwrite(6,version,1) | 2 115 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:118:20: 114 | call iwrite(6,version,1) | 2 ...... 118 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_init.F:141:22: 116 | call dwrite(6,unita,9) | 2 ...... 141 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_new.F... wvfnc_new.F:169:20: 168 | call iwrite(6,version,1) | 2 169 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:172:20: 168 | call iwrite(6,version,1) | 2 ...... 172 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_new.F:199:26: 170 | call dwrite(6,unita,9) | 2 ...... 199 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_new.F:297:30: 170 | call dwrite(6,unita,9) | 2 ...... 297 | call dwrite(6,fz,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_new.F:299:30: 170 | call dwrite(6,unita,9) | 2 ...... 299 | call dwrite(6,fy,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) wvfnc_new.F:301:30: 170 | call dwrite(6,unita,9) | 2 ...... 301 | call dwrite(6,fx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling wvfnc_expander_input.F... Compiling wvfnc_expander.F... wvfnc_expander.F:63:19: 62 | call iread(5,version,1) | 2 63 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:66:19: 62 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:76:20: 75 | call iwrite(6,version,1) | 2 76 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:79:20: 75 | call iwrite(6,version,1) | 2 ...... 79 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expander.F:109:23: 64 | call dread(5,unita,9) | 2 ...... 109 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expander.F:116:24: 77 | call dwrite(6,unita,9) | 2 ...... 116 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_reformat.F... wvfnc_reformat.F:67:19: 66 | call iread(5,version,1) | 2 67 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:70:19: 66 | call iread(5,version,1) | 2 ...... 70 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:82:20: 81 | call iwrite(6,version,1) | 2 82 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:85:20: 81 | call iwrite(6,version,1) | 2 ...... 85 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_reformat.F:122:24: 68 | call dread(5,unita,9) | 2 ...... 122 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_reformat.F:123:24: 83 | call dwrite(6,unita2,9) | 2 ...... 123 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_ionize.F... wvfnc_ionize.F:84:19: 83 | call iread(5,version,1) | 2 84 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:87:19: 83 | call iread(5,version,1) | 2 ...... 87 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:102:20: 101 | call iwrite(6,version,1) | 2 102 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:105:20: 101 | call iwrite(6,version,1) | 2 ...... 105 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_ionize.F:128:23: 85 | call dread(5,unita,9) | 2 ...... 128 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_ionize.F:134:26: 103 | call dwrite(6,unita,9) | 2 ...... 134 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling wvfnc_adjust.F... wvfnc_adjust.F:163:19: 162 | call iread(5,version,1) | 2 163 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:166:19: 162 | call iread(5,version,1) | 2 ...... 166 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:172:20: 171 | call iwrite(6,version,1) | 2 172 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:175:20: 171 | call iwrite(6,version,1) | 2 ...... 175 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:220:22: 162 | call iread(5,version,1) | 2 ...... 220 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:223:22: 162 | call iread(5,version,1) | 2 ...... 223 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:240:28: 164 | call dread(5,unita,9) | 2 ...... 240 | call dread(5,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:300:26: 173 | call dwrite(6,unita,9) | 2 ...... 300 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_adjust.F:314:25: 162 | call iread(5,version,1) | 2 ...... 314 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:317:25: 162 | call iread(5,version,1) | 2 ...... 317 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:336:28: 162 | call iread(5,version,1) | 2 ...... 336 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:339:28: 162 | call iread(5,version,1) | 2 ...... 339 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:404:19: 162 | call iread(5,version,1) | 2 ...... 404 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_adjust.F:407:19: 162 | call iread(5,version,1) | 2 ...... 407 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling wvfnc_convert_restricted.F... wvfnc_convert_restricted.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:78:20: 77 | call iwrite(6,version,1) | 2 78 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:81:20: 77 | call iwrite(6,version,1) | 2 ...... 81 | call iwrite(6,nne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:102:23: 61 | call dread(5,unita,9) | 2 ...... 102 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:105:24: 79 | call dwrite(6,unita,9) | 2 ...... 105 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_convert_restricted.F:115:19: 59 | call iread(5,version,1) | 2 ...... 115 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_convert_restricted.F:118:19: 59 | call iread(5,version,1) | 2 ...... 118 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling v_wvfnc_init_input.F... v_wvfnc_init_input.F:154:35: 144 | > mt_int,1,nup)) | 2 ...... 154 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling v_wvfnc_init.F... v_wvfnc_init.F:46:59: 43 | value = btdb_get(rtdb,'v_wvfnc:nup', mt_int,1,ne(1)) | 2 ...... 46 | value = btdb_get(rtdb,'v_wvfnc:restricted', mt_log,1,restricted) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). v_wvfnc_init.F:90:20: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:93:20: 89 | call iwrite(6,version,1) | 2 ...... 93 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_init.F:103:22: 91 | call dwrite(6,unita,9) | 2 ...... 103 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling v_wvfnc_new.F... v_wvfnc_new.F:60:20: 59 | call iwrite(6,version,1) | 2 60 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:63:20: 59 | call iwrite(6,version,1) | 2 ...... 63 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_wvfnc_new.F:73:22: 61 | call dwrite(6,unita,9) | 2 ...... 73 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_wannier_input.F... pspw_wannier_input.F:104:60: 95 | if (.not.rtdb_put(rtdb,'wannier:maxiter',mt_int,1,it)) | 2 ...... 104 | if (.not.rtdb_put(rtdb,'wannier:time_step',mt_dbl,1,tstep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_wannier.F... Compiling silvestrelli_overlap.F... silvestrelli_overlap.F:60:72: 60 | psis = rgrid(1) + n2ft3d | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:41:22: 41 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here silvestrelli_overlap.F:187:72: 187 | psis = rgrid(1) + n2ft3d | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap.F:168:22: 168 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here Compiling silvestrelli_minimize.F... Compiling pspw_wannier_old.F... Compiling silvestrelli_overlap_old.F... silvestrelli_overlap_old.F:53:72: 53 | psic = rgrid(1) | ^ Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] silvestrelli_overlap_old.F:38:22: 38 | integer rgrid(2),Tc(2),Ts(2),psic,psis | ^ note: 'rgrid' declared here Compiling silvestrelli_minimize_old.F... Compiling pspw_wannier2.F... pspw_wannier2.F:236:28: 221 | call Pack_c_Copy(1,dcpl_mb(psi(1) +(n-1)*npack1), | 2 ...... 236 | call Pack_c_Copy(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_wannier2.F:237:28: 222 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 237 | > dcpl_mb(psi(1) +(n-1)*npack1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_translate.F... Compiling expand_cell.F... expand_cell.F:51:44: 38 | value = btdb_get(rtdb,'nwpw:cell_expand',mt_int,3,cell_expand) | 2 ...... 51 | if (btdb_get(rtdb,rtdb_unita,mt_dbl,9,amatrix)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling wvfnc_expand_cell.F... wvfnc_expand_cell.F:61:19: 60 | call iread(5,version,1) | 2 61 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:64:19: 60 | call iread(5,version,1) | 2 ...... 64 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:91:20: 90 | call iwrite(6,version,1) | 2 91 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:94:20: 90 | call iwrite(6,version,1) | 2 ...... 94 | call iwrite(6,dne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) wvfnc_expand_cell.F:121:23: 62 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wvfnc_expand_cell.F:132:24: 92 | call dwrite(6,unita,9) | 2 ...... 132 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling band_reformat_c_wvfnc.F... band_reformat_c_wvfnc.F:49:19: 48 | call iread(5,version,1) | 2 49 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:52:19: 48 | call iread(5,version,1) | 2 ...... 52 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:67:20: 66 | call iwrite(6,version,1) | 2 67 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:70:20: 66 | call iwrite(6,version,1) | 2 ...... 70 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:116:23: 50 | call dread(5,unita,9) | 2 ...... 116 | call dread(5,dcpl_mb(cfull_in(1)),2*nfft3d_in) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:120:23: 68 | call dwrite(6,unita,9) | 2 ...... 120 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_reformat_c_wvfnc.F:197:19: 48 | call iread(5,version,1) | 2 ...... 197 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:200:19: 48 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:215:20: 66 | call iwrite(6,version,1) | 2 ...... 215 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:218:20: 66 | call iwrite(6,version,1) | 2 ...... 218 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:346:19: 48 | call iread(5,version,1) | 2 ...... 346 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:349:19: 48 | call iread(5,version,1) | 2 ...... 349 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:364:20: 66 | call iwrite(6,version,1) | 2 ...... 364 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_reformat_c_wvfnc.F:367:20: 66 | call iwrite(6,version,1) | 2 ...... 367 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling makenodefunctions.F... makenodefunctions.F:113:72: 113 | call psi_derivative_f(itype,gx,gy,gz,psir) | 1 Warning: Type mismatch in argument 'f' at (1); passed REAL(8) to COMPLEX(8) makenodefunctions.F:133:28: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). makenodefunctions.F:133:33: 112 | call Pack_c_Copy(1,psiin(shift1),psir) | 2 ...... 133 | call Pack_c_copy(1,psir,psiout(shift1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/makepsi' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/makepsi' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a wvfnc_init_input.o wvfnc_init.o wvfnc_new.o wvfnc_expander_input.o wvfnc_expander.o wvfnc_reformat.o wvfnc_ionize.o wvfnc_adjust.o wvfnc_convert_restricted.o v_wvfnc_init_input.o v_wvfnc_init.o v_wvfnc_new.o pspw_wannier_input.o pspw_wannier.o silvestrelli_overlap.o silvestrelli_minimize.o pspw_wannier_old.o silvestrelli_overlap_old.o silvestrelli_minimize_old.o pspw_wannier2.o pspw_translate.o expand_cell.o wvfnc_expand_cell.o band_reformat_c_wvfnc.o makenodefunctions.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/makepsi' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/makepsi' Making all in cpsd gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cpsd' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cpsd' Compiling cpsd_input.F... cpsd_input.F:136:54: 116 | > geometry_optimize) | 2 ...... 136 | value = rtdb_put(rtdb,'cpsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cpmd_input.F... cpmd_input.F:172:54: 155 | > geometry_optimize) | 2 ...... 172 | value = rtdb_put(rtdb,'cpmd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling cpsdv5.F... cpsdv5.F:790:2: 790 | #warning backspace | 1~~~~~~ Warning: #warning backspace [-Wcpp] cpsdv5.F:995:19: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 995 | > dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsdv5.F:996:19: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 996 | > dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpmdv5.F... cpmdv5.F:354:50: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 354 | call ycopy(2*npack1*(neq(1)+neq(2)),0.0d0,0,dcpl_mb(psi1(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpmdv5.F:412:42: 230 | call ycopy(60,0.0d0,0,E,1) | 2 ...... 412 | call ycopy(2*(neq(1)+neq(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling mmsdv1.F... Compiling inner_loop_md.F... inner_loop_md.F:465:27: 444 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 465 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_md.F:531:30: 461 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 531 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling mm_loop.F... Compiling psi_lmbda.f... Compiling psi_lmbda_sic.f... Compiling psi_lmbda_paw.f... Compiling psi_lmbda2.f... Compiling psi_lmbda3.f... psi_lmbda3.f:179:20: 126 | > tmp(s21),n, | 2 ...... 179 | > psi1(1,n1(ms)),2*npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). psi_lmbda3.f:182:20: 129 | > tmp(sa1),n) | 2 ...... 182 | > psi2(1,n1(ms)),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling psi_lmbda_omp.F... Compiling fei_output.F... Compiling dipole_motion.F... Compiling pspw_et.F... pspw_et.F:1594:41: 1500 | call ycopy(n2ft3d,0.0d0,0,rho,1) | 2 ...... 1594 | call ycopy(2*nemaxq*npack1,0.0d0,0,dcpl_mb(Hpsi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_et.F:1577:72: 1577 | call v_local(dcpl_mb(vl(1)),.false.,tmp1,tmp2) | ^ Warning: 'vl' may be used uninitialized [-Wmaybe-uninitialized] pspw_et.F:1535:58: 1535 | integer Hpsi2(2),vlr_l(2),r_grid(2),v_field(2),vl(2) | ^ note: 'vl' declared here pspw_et.F:1599:72: 1599 | > dcpl_mb(Hpsi2(1))) | ^ Warning: 'v_field' may be used uninitialized [-Wmaybe-uninitialized] pspw_et.F:1535:52: 1535 | integer Hpsi2(2),vlr_l(2),r_grid(2),v_field(2),vl(2) | ^ note: 'v_field' declared here Compiling runsocket.F... runsocket.F:100:42: 72 | call nwpw_talker_read(sock,msg,12) | 2 ...... 100 | call nwpw_talker_read(sock,unita,9*8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). runsocket.F:148:43: 94 | call nwpw_talker_write(sock,statebuffer,12) | 2 ...... 148 | call nwpw_talker_write(sock,energy,8) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling inner_loop.F... inner_loop.F:477:27: 451 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 477 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop.F:538:30: 473 | call D3dB_r_Zero(1,dcpl_mb(tmp1(1))) | 2 ...... 538 | call D3dB_r_Zero(1,dbl_mb(v_field(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cpsd' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cpsd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a cpsd_input.o cpmd_input.o cpsdv5.o cpmdv5.o mmsdv1.o inner_loop_md.o mm_loop.o psi_lmbda.o psi_lmbda_sic.o psi_lmbda_paw.o psi_lmbda2.o psi_lmbda3.o psi_lmbda_omp.o fei_output.o dipole_motion.o pspw_et.o runsocket.o psi_lmbda_omp.o inner_loop.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cpsd' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cpsd' Making all in cgsd gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cgsd' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cgsd' Compiling cgsd_input.F... cgsd_input.F:445:54: 437 | > frac_coord) | 2 ...... 445 | > rtdb_put(rtdb,'cgsd:npsp', mt_int,1,npsp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling pspw_noit_energy.F... Compiling pspw_energy.F... pspw_energy.F:65:51: 49 | > runme)) | 2 ...... 65 | if (rtdb_get(rtdb,'cgsd:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). pspw_energy.F:114:21: 82 | value = rtdb_put(rtdb,'cgsd:wcut',mt_dbl,1,wcut) | 2 ...... 114 | > .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling pspw_gradient.F... Compiling pspw_bq_gradient.F... Compiling pspw_stress.F... Compiling cgsdv5.F... cgsdv5.F:709:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 709 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:712:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 712 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:724:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 724 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsdv5.F:727:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 727 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgsdv5.F:648:13: 648 | if (EVQ.gt.0.0d0) write(LuOut,1601) EV+EVQ | ^ Warning: 'evq' may be used uninitialized [-Wmaybe-uninitialized] cgsdv5.F:61:20: 61 | real*8 EV,EVQ,pi,rs | ^ note: 'evq' was declared here Compiling cgmontecarlov1.F... cgmontecarlov1.F:769:27: 197 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 769 | call ycopy(9,mc_unita1,1,mc_unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1056:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1056 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1059:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1059 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:1069:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1069 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmontecarlov1.F:1072:25: 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1072 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmontecarlov1.F:761:72: 761 | > dbl_mb(frac1(1))) | ^ Warning: 'frac1[0]' may be used uninitialized [-Wmaybe-uninitialized] cgmontecarlov1.F:81:35: 81 | integer vcount,geom1,frac1(2),nion1 | ^ note: 'frac1[0]' was declared here cgmontecarlov1.F:814:72: 814 | omega1 = omega2 | ^ Warning: 'omega2' may be used uninitialized [-Wmaybe-uninitialized] cgmontecarlov1.F:71:56: 71 | real*8 ratio,ratio_v,ratio_r,aratio,omega1,omega2 | ^ note: 'omega2' was declared here Compiling cgoptimize1.F... cgoptimize1.F:716:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 716 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:719:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:729:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgoptimize1.F:732:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgoptimize1.F:429:13: 429 | if (opt_algorithm.eq.0) then | ^ Warning: 'opt_algorithm' may be used uninitialized [-Wmaybe-uninitialized] cgoptimize1.F:75:27: 75 | integer opt_algorithm | ^ note: 'opt_algorithm' was declared here Compiling cgmdv5.F... cgmdv5.F:1079:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1079 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1082:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1082 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cgmdv5.F:1092:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1092 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgmdv5.F:1095:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 1095 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling mmmdv1.F... mmmdv1.F:719:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 719 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mmmdv1.F:729:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) mmmdv1.F:732:25: 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cgsd_noit_energy.F... Compiling cgsd_energy.F... cgsd_energy.F:281:36: 279 | call ecce_print1('iteration counter', mt_int,icount*it_in,1) | 2 280 | call ecce_print1('iterative total energy difference', 281 | > mt_dbl, deltae, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cgsd_energy.F:1209:19: 101 | call ycopy(40,0.0d0,0,E,1) | 2 ...... 1209 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) cgsd_energy.F:1547:19: 101 | call ycopy(40,0.0d0,0,E,1) | 2 ...... 1547 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling cgsd_excited.F... Compiling cgsd_oep_eigenvalues.F... Compiling cgminimize.F... Compiling cgminimize2.F... Compiling cgminimizeABC.F... Compiling bfgsminimize.F... Compiling bfgsminimize2.F... Compiling bfgsminimize3.F... Compiling bfgsminimizeABC.F... Compiling bybminimize0.F... Compiling bybminimize.F... bybminimize.F:270:72: 270 | deltae = Enew-Eold | ^ Warning: 'enew' may be used uninitialized [-Wmaybe-uninitialized] bybminimize.F:45:21: 45 | real*8 Enew,Eold,alpha | ^ note: 'enew' was declared here Compiling bybminimize2.F... Compiling sdminimize.F... Compiling nominimize.F... Compiling md_energy.F... Compiling kp_structure.F... kp_structure.F:122:72: 122 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here kp_structure.F:121:72: 121 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here kp_structure.F:120:72: 120 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here Compiling pspw_director.F... pspw_director.F:215:34: 215 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:179:34: 179 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:154:34: 154 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] pspw_director.F:135:34: 135 | common /pspw_director_lines/ lines,nlines | 1 Warning: Padding of 2 bytes required before 'nlines' in COMMON 'pspw_director_lines' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cgsd' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cgsd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a cgsd_input.o pspw_noit_energy.o pspw_energy.o pspw_gradient.o pspw_bq_gradient.o pspw_stress.o cgsdv5.o cgmontecarlov1.o cgoptimize1.o cgmdv5.o mmmdv1.o cgsd_noit_energy.o cgsd_energy.o cgsd_excited.o cgsd_oep_eigenvalues.o cgminimize.o cgminimize2.o cgminimizeABC.o bfgsminimize.o bfgsminimize2.o bfgsminimize3.o bfgsminimizeABC.o bybminimize0.o bybminimize.o bybminimize2.o sdminimize.o nominimize.o md_energy.o kp_structure.o pspw_director.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cgsd' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cgsd' Making all in analysis gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis' Compiling analysis_input.F... Compiling analysis.F... analysis.F:167:40: 144 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 167 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling orb_pop.F... Compiling orb_pop_kawai.F... Compiling orb_pop_aorb.F... Compiling orb.F... orb.F:75:45: 69 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) | 2 ...... 75 | > dbl_mb(b0(1)+(k-1)*6))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_Lubin_water_analysis.F... Compiling pspw_atom_analysis.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis' Making all in APC gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' Compiling pspw_APC.F... pspw_APC.F:1313:47: 1313 | > + dbl_mb(nwpw_born_u_ptr(1)+ii-1) | 1 Warning: More actual than formal arguments in procedure call at (1) pspw_APC.F:1404:55: 1309 | call Parallel_shared_vector_zero(.true.,ngs,dbl_mb(u(1))) | 2 ...... 1404 | call Parallel_shared_vector_zero(.true.,2*npack0,dcpl_mb(vtmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_APC.F:1220:47: 1220 | > + dbl_mb(nwpw_born_u_ptr(1)+ii-1) | 1 Warning: More actual than formal arguments in procedure call at (1) pspw_APC.F:62:52: 54 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 62 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). pspw_APC.F:358:72: 358 | > dbl_mb(b(1)+ngs+(i-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[0]' was declared here pspw_APC.F:361:72: 361 | > dbl_mb(b(1)+2*ngs+(i-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[1]' was declared here pspw_APC.F:364:72: 364 | > dbl_mb(b(1)+3*ngs+(i-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] pspw_APC.F:267:18: 267 | integer G(3) | ^ note: 'g[2]' was declared here Compiling pspw_atom_Efield.F... Compiling util_diag_jacobi.F... Compiling util_sorteps.F... Compiling pspw_atom_Efield_grad.F... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a pspw_APC.o pspw_atom_Efield.o util_diag_jacobi.o util_sorteps.o pspw_atom_Efield_grad.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis/APC' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a analysis_input.o analysis.o orb_pop.o orb_pop_kawai.o orb_pop_aorb.o orb.o pspw_Lubin_water_analysis.o pspw_atom_analysis.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/analysis' Making all in cell_optimize gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' Compiling cell_optimize_input.F... cell_optimize_input.F:250:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 250 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:253:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 253 | > mt_int,9,optimize_lattice_vectors) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize_input.F:256:32: 244 | > mt_int,1,optimize_strategy) | 2 ...... 256 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cell_optimize.F... cell_optimize.F:44:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 44 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cell_optimize.F:48:32: 36 | > mt_int,1,optimize_strategy) | 2 ...... 48 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling update_unitcell.F... update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here Compiling pspw_stress_numerical.F... Compiling pspw_force_numerical.F... Compiling force_fd.F... force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] force_fd.F:21:29: 21 | integer r1(2),geom,nion | ^ note: 'nion' declared here Compiling stress_fd.F... stress_fd.F:131:53: 120 | > mt_log,1,lstress_numerical)) | 2 ...... 131 | > btdb_get(rtdb,'pspw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). stress_fd.F:192:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 192 | call ycopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:324:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 324 | call ycopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:497:19: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 497 | call ycopy(9,all_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) stress_fd.F:511:25: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 511 | call ycopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:620:25: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 620 | call ycopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) stress_fd.F:798:22: 156 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 798 | call ycopy(6,all_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a cell_optimize_input.o cell_optimize.o update_unitcell.o pspw_stress_numerical.o pspw_force_numerical.o force_fd.o stress_fd.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/cell_optimize' Making all in qmmm gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm' Compiling pspw_qmmm_input.F... pspw_qmmm_input.F:170:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 170 | value = rtdb_put(rtdb,rtdb_name,mt_int,1,npair) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pspw_qmmm_input.F:501:57: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 501 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:534:49: 168 | if (.not.rtdb_get(rtdb,rtdb_name,mt_int,1,npair)) npair = 0 | 2 ...... 534 | > mt_dbl,(2*basis_length-2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_qmmm_input.F:560:57: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 560 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:730:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 730 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:736:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 736 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1438:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1438 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rin) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:1444:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 1444 | value = rtdb_put(rtdb,rtdb_name,mt_dbl,1,Rout) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) pspw_qmmm_input.F:2115:51: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) | 2 ...... 2115 | if (.not.rtdb_put(rtdb,rtdb_name,mt_dbl,1,alpha)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling pspw_qmmm.F... pspw_qmmm.F:106:46: 70 | if (.not.btdb_get(rtdb,rtdb_name,mt_log,1,value)) value = .false. | 2 ...... 106 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling pspw_2qmmm.F... pspw_2qmmm.F:78:46: 60 | if (.not.btdb_get(rtdb,rtdb_name,mt_int,1,nfrag)) nfrag = 0 | 2 ...... 78 | if (btdb_get(rtdb,rtdb_name,mt_dbl,1,qmmm_lmbda)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling pspw_springs.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm' Making all in pspw_LJ gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' Compiling pspw_LJ.F... pspw_LJ.F:99:59: 68 | value = btdb_get(rtdb,rtdbname(1:j),mt_dbl,2,sigma_epsilon) | 2 ...... 99 | if (.not.btdb_get(rtdb,'pspw_LJ_include_qm',mt_log,1,include_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a pspw_LJ.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_LJ' Making all in pspw_Q gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' Compiling pspw_Q.F... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a pspw_Q.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Q' Making all in pspw_Pair gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' Compiling pspw_Pair.F... pspw_Pair.F:72:33: 63 | if (.not.btdb_get(rtdb,rtdbname(1:k),mt_dbl,2,sigma_epsilon)) | 2 ...... 72 | > mt_log,1,include_lj_qm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a pspw_Pair.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/pspw_Pair' Making all in mmq gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' Compiling mmq.F... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a mmq.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm/mmq' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a pspw_qmmm_input.o pspw_qmmm.o pspw_2qmmm.o pspw_springs.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/qmmm' Making all in charge gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/charge' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/charge' Compiling pspw_charge.F... pspw_charge.F:110:51: 103 | > 'nwpw:charge_type',mt_int,1,charge_type)) then | 2 ...... 110 | > 'nwpw:charge_dielectric_d',mt_dbl,1,s_d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_charge.F:677:44: 675 | call Parallel_shared_vector_zero(.false.,n2ft3d,Vqm) | 2 676 | call Parallel_shared_vector_zero(.false.,2*npack0, 677 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:686:43: 684 | call Pack_cc_daxpy(0,q1,dcpl_mb(exi(1)),Vqm) | 2 685 | call Pack_cc_daxpy(0,dabs(q1),dcpl_mb(exi(1)), 686 | > dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_charge.F:692:53: 691 | call Pack_tc_Mul2(0,dbl_mb(vc_charge(1)),Vqm) | 2 692 | call Pack_tc_Mul2(0,dbl_mb(vc2_charge(1)),dcpl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_efield.F... pspw_efield.F:31:59: 27 | if (.not.btdb_get(rtdb,'nwpw:efield',mt_log,1,efield_on)) | 2 ...... 31 | if(.not.btdb_get(rtdb,'nwpw:efield_type',mt_int,1,efield_type)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/charge' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/charge' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a pspw_charge.o pspw_efield.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/charge' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/charge' Making all in dplot gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/dplot' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/dplot' Compiling pspw_dplot_input.F... pspw_dplot_input.F:291:42: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 291 | > mt_dbl,3,x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_dplot_input.F:602:57: 82 | value = rtdb_put(rtdb,'pspw_dplot:count',mt_int,1,count) | 2 ...... 602 | if (.not.rtdb_put(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling pspw_dplot.F... pspw_dplot.F:698:72: 698 | call pspw_add_core_dng(1.0d0,dbl_mb(rho(1))) | 1 Warning: Type mismatch in argument 'dng' at (1); passed REAL(8) to COMPLEX(8) pspw_dplot.F:753:62: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 753 | if (.not.btdb_get(rtdb,name2(1:name2_len),mt_dbl,3,x)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). pspw_dplot.F:778:50: 618 | 710 call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 778 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:779:32: 673 | call D3dB_rc_fft3f(1,dbl_mb(rho(1))) | 2 ...... 779 | call D3dB_rc_fft3f(1,dcpl_mb(rhog(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:987:57: 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 987 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:2078:25: 674 | call Pack_c_pack(1,dbl_mb(rho(1))) | 2 ...... 2078 | call Pack_c_pack(0,dcpl_mb(tmp2(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_dplot.F:423:33: 423 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 1 ...... 2076 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp2(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). pspw_dplot.F:93:57: 93 | if (.not.btdb_get(rtdb,'pspw_dplot:ncell',mt_int,3,ncell)) then | 1 ...... 513 | if (btdb_get(rtdb,'pspw_dplot:3d_grid:nx',mt_int,1,i)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_dplot.F:261:72: 261 | > fractional,dbl_mb(occ2(1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) pspw_dplot.F:273:72: 273 | > .false.,tag) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed COMPLEX(8) to REAL(8) Compiling pspw_dplot_iteration.F... Compiling ELF.F... ELF.F:83:30: 72 | call D3dB_r_Zero_Ends(1,dbl_mb(dns(1))) | 2 ...... 83 | call D3dB_r_Zero_Ends(1,dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ELF.F:105:35: 105 | call ycopy(n2ft3d,0.0d0,0,dcpl_mb(dng(1)),1) | 1 ...... 187 | call ycopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(Gx(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). ELF.F:446:72: 446 | tsum = tsum * dv | ^ Warning: 'tsum' is used uninitialized [-Wuninitialized] ELF.F:385:27: 385 | real*8 summ(100),tsum,msum,x,y,z,dv,dx,dy,dz,rr,rrmin | ^ note: 'tsum' declared here Compiling Ursenbach_smoother.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/dplot' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/dplot' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a pspw_dplot_input.o pspw_dplot.o pspw_dplot_iteration.o ELF.o Ursenbach_smoother.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/dplot' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/dplot' Making all in lcao gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lcao' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lcao' Compiling lcao_wvfnc.F... Compiling wvfnc_new_lcao_density.F... wvfnc_new_lcao_density.F:371:29: 358 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)),dbl_mb(vall(1))) | 2 ...... 371 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)),dbl_mb(vall(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling lcao_write_matrix.F... Compiling lcao_generate_smatrix.F... Compiling lcao_generate_kematrix.F... Compiling lcao_generate_vlmatrix.F... lcao_generate_vlmatrix.F:98:30: 75 | call Pack_c_unpack(0,dcpl_mb(vl(1))) | 2 ...... 98 | call Pack_c_unpack(1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:99:33: 76 | call D3dB_cr_pfft3b(1,0,dcpl_mb(vl(1))) | 2 ...... 99 | call D3dB_cr_pfft3b(1,1,dbl_mb(vpsi)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:28: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vlmatrix.F:112:41: 97 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 112 | call Pack_c_Copy(1,dbl_mb(vpsi),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). lcao_generate_vlmatrix.F:40:72: 40 | vpsi = vlr_l(1) | ^ Warning: 'vlr_l' may be used uninitialized [-Wmaybe-uninitialized] lcao_generate_vlmatrix.F:20:28: 20 | integer vl(2),vlr_l(2),rgrid(2),vpsi | ^ note: 'vlr_l' declared here Compiling lcao_generate_vnlmatrix.F... Compiling lcao_generate_vhxcmatrix.F... lcao_generate_vhxcmatrix.F:172:31: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). lcao_generate_vhxcmatrix.F:172:44: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) | 2 ...... 172 | call Pack_c_Copy(1,dbl_mb(vall),phi2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling lcao_init_dn.F... Compiling lcao_new_dn.F... Compiling lcao_make_psi.F... Compiling lcao_write_psi.F... lcao_write_psi.F:73:23: 72 | call iwrite(6,version,1) | 2 73 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:76:23: 72 | call iwrite(6,version,1) | 2 ...... 76 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:185:23: 72 | call iwrite(6,version,1) | 2 ...... 185 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) lcao_write_psi.F:188:23: 72 | call iwrite(6,version,1) | 2 ...... 188 | call iwrite(6,ne_excited,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling lcaov1.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lcao' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lcao' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a lcao_wvfnc.o wvfnc_new_lcao_density.o lcao_write_matrix.o lcao_generate_smatrix.o lcao_generate_kematrix.o lcao_generate_vlmatrix.o lcao_generate_vnlmatrix.o lcao_generate_vhxcmatrix.o lcao_init_dn.o lcao_new_dn.o lcao_make_psi.o lcao_write_psi.o lcaov1.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lcao' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw/lcao' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a task_pspw.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpspw.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/pspw' Making all in paw gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw' Compiling task_paw.F... Making all in paw_geometry gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_geometry' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_geometry' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_geometry' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_geometry' Making all in paw_ma gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ma' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ma' Compiling paw_ma.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ma' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ma' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_ma.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ma' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ma' Making all in paw_utils gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_utils' Compiling integrate.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_utils' Compiling paw_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling io_utils.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling chkerr.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling double_factorial.f... double_factorial.f:15:72: 15 | end | ^ Warning: '__result_double_factorial' may be used uninitialized [-Wmaybe-uninitialized] double_factorial.f:1:48: 1 | double precision function double_factorial(n) | ^ note: '__result_double_factorial' was declared here Compiling bessel_transform.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_gauss_weights.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_spher_grid.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_utils' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_utils' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a integrate.o paw_utils.o io_utils.o chkerr.o double_factorial.o bessel_transform.o paw_gauss_weights.o paw_spher_grid.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_utils' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_utils' Making all in paw_basis gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_basis' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_basis' Compiling paw_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] paw_basis.F:365:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 365 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). paw_basis.F:375:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 375 | call BRDCST(9+MSGDBL,eig, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:379:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 379 | call BRDCST(9+MSGDBL,core_density, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:380:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 380 | call BRDCST(9+MSGDBL,ps_core_density,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:381:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 381 | call BRDCST(9+MSGDBL,v_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:385:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 385 | call BRDCST(9+MSGDBL,phi_ae, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:386:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 386 | call BRDCST(9+MSGDBL,phi_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:387:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 387 | call BRDCST(9+MSGDBL,phi_ae_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:388:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 388 | call BRDCST(9+MSGDBL,phi_ps_prime,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:389:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 389 | call BRDCST(9+MSGDBL,prj_ps, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_basis.F:390:27: 359 | call BRDCST(9+MSGDBL,r1, mdtob(msglen),MASTER) | 2 ...... 390 | call BRDCST(9+MSGDBL,prj_ps0, mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling paw_small_basis.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_basis_data.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_basis' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_basis' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_basis.o paw_small_basis.o paw_basis_data.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_basis' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_basis' Making all in paw_proj gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_proj' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_proj' Compiling paw_proj.F... paw_proj.F:522:22: 520 | call iread(5,ngrid,3) | 2 521 | call dread(5,unita,9) 522 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:529:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 528 | msglen = 9 529 | call BRDCST(9+MSGDBL,unita,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). paw_proj.F:531:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 531 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:605:22: 520 | call iread(5,ngrid,3) | 2 ...... 605 | call iread(5,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:615:27: 527 | call BRDCST(9+MSGINT,ngrid,mitob(msglen),MASTER) | 2 ...... 615 | call BRDCST(9+MSGINT,nbasis,mitob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:709:23: 707 | call iwrite(6,ngrid,3) | 2 708 | call dwrite(6,unita,9) 709 | call iwrite(6,nbasis,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:808:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 808 | call iwrite(6,l,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:809:27: 707 | call iwrite(6,ngrid,3) | 2 ...... 809 | call iwrite(6,m,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'REALPART_EXPR ' was declared here paw_proj.F:930:72: 930 | coef = coef*fourpi/sqrt(lattice_omega()) | ^ Warning: 'IMAGPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] paw_proj.F:918:21: 918 | complex*16 coef | ^ note: 'IMAGPART_EXPR ' was declared here gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_proj' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_proj' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_proj.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_proj' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_proj' Making all in paw_matrix gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_matrix' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_matrix' Compiling paw_comp_charge_matrix.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_matrix' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_matrix' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_comp_charge_matrix.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_matrix' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_matrix' Making all in paw_ovlp gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' Compiling paw_ovlp.F... Compiling paw_overlap_matrix.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_ovlp.o paw_overlap_matrix.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ovlp' Making all in paw_comp_charge gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' Compiling paw_comp_charge.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_comp_charge.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_charge' Making all in paw_special_functions gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' Compiling paw_spher_func.F... Compiling paw_double_factorial.F... Compiling paw_gamma_function.F... Compiling paw_hypergeom1F1.F... paw_hypergeom1F1.F:12:48: 12 | DOUBLE PRECISION FUNCTION PAW_HYPERGEOM1F1 (N, L, Z) | ^ Warning: '__result_paw_hypergeom1f1' may be used uninitialized [-Wmaybe-uninitialized] gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_spher_func.o paw_double_factorial.o paw_gamma_function.o paw_hypergeom1F1.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_special_functions' Making all in paw_gaunt gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' Compiling paw_gaunt.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_gaunt.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_gaunt' Making all in paw_kinetic gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' Compiling paw_energy_kin_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_kin.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_energy_kin_atom.o paw_matrix_kin.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_kinetic' Making all in paw_vloc gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_vloc' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_vloc' Compiling paw_energy_vloc_atom.F... Compiling paw_matrix_vloc.F... Compiling paw_vloc.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_vloc' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_vloc' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_energy_vloc_atom.o paw_matrix_vloc.o paw_vloc.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_vloc' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_vloc' Making all in paw_ion_potential gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' Compiling paw_energy_ion_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_ion.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_energy_ion_atom.o paw_matrix_ion.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_ion_potential' Making all in paw_core gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_core' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_core' Compiling paw_energy_core_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_matrix_core.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_core' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_core' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_energy_core_atom.o paw_matrix_core.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_core' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_core' Making all in paw_hartree gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_hartree' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_hartree' Compiling paw_matrix_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_pot_hartree.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] Compiling paw_energy_hartree_atom.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_hartree' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_hartree' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_matrix_hartree.o paw_pot_hartree.o paw_energy_hartree_atom.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_hartree' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_hartree' Making all in paw_comp_pot gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' Compiling paw_matrix_comp_pot.F... Compiling paw_pot_comp.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_matrix_comp_pot.o paw_pot_comp.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_comp_pot' Making all in paw_mult gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_mult' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_mult' Compiling paw_mult.F... paw_mult.F:1118:40: 1118 | call ycopy((lmax+1)*nkatm,0.0d0,0,coeff,1) | 1 ...... 1163 | > dcpl_mb(comp_coeff(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_mult_interaction.F... Compiling paw_mult_energy.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_mult' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_mult' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_mult.o paw_mult_interaction.o paw_mult_energy.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_mult' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_mult' Making all in paw_nonlocal gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' Compiling paw_nonlocal.F... paw_nonlocal.F:281:35: 241 | > dcpl_mb(paw_Gop_static(1)),1, | 2 ...... 281 | call ycopy(2*paw_nl_coeff(3),0.0d0,0, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_nonlocal.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_nonlocal' Making all in paw_density gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_density' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_density' Compiling paw_density.F... paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:563:72: 563 | > paw_rho_ae(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:568:72: 568 | > paw_rho_ps(1,l2,ms)) | 1 Warning: Type mismatch in argument 'rho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:726:72: 726 | > paw_rho_ae_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'alpha' at (1); passed COMPLEX(8) to REAL(8) paw_density.F:733:72: 733 | > paw_rho_ps_prime(1,l2,ms)) | 1 Warning: Type mismatch in argument 'drho' at (1); passed COMPLEX(8) to REAL(8) gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_density' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_density' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_density.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_density' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_density' Making all in paw_xc gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_xc' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_xc' Compiling paw_xc.F... paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1315:72: 1315 | > rho_prime(1,1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1328:72: 1328 | > rho_prime(1,2,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1335:72: 1335 | > rho_prime(1,3,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'rholm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:1275:72: 1275 | > rho(1,ms)) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:484:41: 484 | call ycopy(2*paw_xc_pot(3),0.0d0,0,dcpl_mb(paw_xc_pot(1)),1) | 1 ...... 1307 | call ycopy(3*ic*ispin,0.0d0,0,rho_prime,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:671:72: 671 | > dcpl_mb(paw_dvxc_ps(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'ylm' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:686:72: 686 | > dcpl_mb(paw_vxc_ps(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'vxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:741:72: 741 | > dcpl_mb(paw_xc_matr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ae' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'dvxclm_ps' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:815:72: 815 | > dcpl_mb(paw_xc_dmatr(1))) | 1 Warning: Type mismatch in argument 'tmpc' at (1); passed COMPLEX(8) to REAL(8) paw_xc.F:858:44: 855 | > dcpl_mb(paw_xc_pot(1))) | 2 ...... 858 | call D3dB_Vector_Sumall(paw_xc_e(3),dbl_mb(paw_xc_e(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_vosko.F... Compiling paw_dirac_x.F... Compiling paw_gga.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_xc' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_xc' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_xc.o paw_vosko.o paw_dirac_x.o paw_gga.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_xc' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_xc' Making all in paw_force gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_force' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_force' Compiling paw_force.F... paw_force.F:215:30: 215 | > dcpl_mb(paw_force_cx_s(1))) | 1 ...... 906 | if (np.gt.1) call D3dB_Vector_SumAll(3*nion,dbl_mb(ft(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_force.F:260:34: 260 | call ycopy(tcount,0.0d0,0,dcpl_mb(paw_force_wx_u(1)),1) | 1 ...... 768 | call ycopy(3*nion,0.0d0,0,dbl_mb(ft(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_force' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_force' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_force.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_force' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_force' Making all in paw_Grsm_list gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' Compiling paw_Grsm_list.F... Compiling paw_lmbfgs.F... paw_lmbfgs.F:80:32: 59 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 80 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:82:39: 26 | call paw_Grsm_list_store(2*m-1,g) | 2 ...... 82 | call paw_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:96:25: 88 | > dbl_mb(ss(1)), | 2 ...... 96 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_lmbfgs.F:99:35: 79 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_lmbfgs.F:99:51: 79 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 99 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_Grsm_list.o paw_lmbfgs.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_Grsm_list' Making all in paw_psi gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_psi' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_psi' Compiling paw_psi.F... paw_psi.F:167:22: 167 | call ycopy(8*nn,0.0d0,0,tmp,1) | 1 ...... 328 | call ycopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:171:22: 171 | call ycopy(2*nn,0.0d0,0,lmbda,1) | 1 ...... 328 | call ycopy(n_max*n,A,1,fnm,1) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi.F:223:20: 223 | > psi1(1,n1(ms)),2*npack1, | 1 ...... 395 | > fnm,n_max, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi.F:226:20: 226 | > psi2(1,n1(ms)),2*npack1) | 1 ...... 398 | > tmp,n_max) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling paw_psi2.F... paw_psi2.F:2471:31: 722 | > rho, 1, | 2 ...... 2471 | call ycopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2526:31: 722 | > rho, 1, | 2 ...... 2526 | call ycopy((ne(1)+ne(2)),0.0d0,0,dbl_mb(eig(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:2925:51: 2897 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 2 ...... 2925 | call psi_write(ispin,ne,dcpl_mb(psi1(1)),-1,dum) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:32: 722 | > rho, 1, | 2 ...... 3009 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3009:40: 723 | > dbl_mb(rho_ptr),1) | 2 ...... 3009 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2_excited(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_psi2.F:3010:32: 722 | > rho, 1, | 2 ...... 3010 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi1_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:3011:25: 722 | > rho, 1, | 2 ...... 3011 | call ycopy(2*nemax,0.0d0,0,dbl_mb(eig_excited(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) paw_psi2.F:189:72: 189 | > dcpl_mb(t(1))) | ^ Warning: 'lmbda_r0' may be used uninitialized [-Wmaybe-uninitialized] paw_psi2.F:115:54: 115 | real*8 e0,eold,percent_error,error0,de0,lmbda_r0,lmbda_r1 | ^ note: 'lmbda_r0' was declared here Compiling paw_psi_new.F... Compiling paw_psi_H.F... Compiling paw_electron.F... paw_electron.F:1266:30: 431 | > dcpl_mb(tmp2(1))) | 2 ...... 1266 | > dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1588:28: 426 | > dng, | 2 ...... 1588 | > dbl_mb(dn_cmp_smooth(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1589:28: 427 | > dbl_mb(dn_cmp_smooth(1)), | 2 ...... 1589 | > dng, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1631:32: 1268 | call Pack_c_unpack(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1631 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1632:32: 1269 | call D3dB_cr_fft3b(1, dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1632 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1633:35: 1270 | call D3dB_r_Zero_Ends(1,dbl_mb(psi_r(1)+(n-1)*n2ft3d)) | 2 ...... 1633 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1381:32: 1381 | call D3dB_r_SMul1(1,scal1,dbl_mb(tmp1(1))) | 1 ...... 1638 | call D3dB_r_SMul1(1,scal1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1382:27: 1382 | call D3dB_rc_fft3f(1,dbl_mb(tmp1(1))) | 1 ...... 1637 | call D3dB_rc_fft3f(1,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1383:25: 1383 | call Pack_c_pack(0,dbl_mb(tmp1(1))) | 1 ...... 1639 | call Pack_c_pack(0,dcpl_mb(vh(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:1384:25: 430 | > dcpl_mb(vcomp(1)), | 2 ...... 1384 | call Pack_c_Copy(0,dbl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_electron.F:225:42: 225 | call ycopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:225:49: 225 | call ycopy(2*(npack1)*(ne(1)+ne(2)),psi1,1,psi2,1) | 1 ...... 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1469:29: 1443 | > call D3dB_rr_Sum2(1,dbl_mb(v_field(1)), | 2 ...... 1469 | call D3dB_rr_Sum2(1,dcpl_mb(vc(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_electron.F:1511:44: 1317 | call ycopy(2*n2ft3d,0.0d0,0,dn,1) | 2 ...... 1511 | call ycopy(4*nfft3d,dbl_mb(vall(1)),1,vall_out,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling paw_geodesic.F... paw_geodesic.F:315:20: 315 | > dbl_mb( Vt(1)+shift2),n, | 1 ...... 671 | > A,2*npack, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_geodesic.F:318:20: 318 | > dbl_mb(tmp2(1)+shift2),n) | 1 ...... 674 | > U,2*npack) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_psi' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_psi' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_psi.o paw_psi2.o paw_psi_new.o paw_psi_H.o paw_electron.o paw_geodesic.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_psi' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/paw_psi' Making all in cpsd gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cpsd' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cpsd' Compiling paw_sd.F... paw_sd.F:903:40: 331 | call ycopy(20,0.0d0,0,E,1) | 2 ...... 903 | call ycopy(2*npack1*nemax,0.0d0,0,dcpl_mb(psi2(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_sd.F:561:72: 561 | call ycopy(2*nemax*nemax,0.0d0,0,dbl_mb(lmd1(1)),1) | ^ Warning: 'lmd1' may be used uninitialized [-Wmaybe-uninitialized] paw_sd.F:243:42: 243 | integer eig(2),hml(2),lmd(2),lmd1(2) | ^ note: 'lmd1' declared here Compiling paw_cpmd.F... paw_cpmd.F:538:40: 306 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 538 | call ycopy(2*(ne(1)+ne(2))*npack1,dcpl_mb(psi1(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:539:40: 306 | call ycopy(30,0.0d0,0,E,1) | 2 ...... 539 | > dcpl_mb(psi0(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_cpmd.F:473:72: 473 | call ycopy(2*nemax*nemax,0.0d0,0,dbl_mb(lmd1(1)),1) | ^ Warning: 'lmd1' may be used uninitialized [-Wmaybe-uninitialized] paw_cpmd.F:179:42: 179 | integer eig(2),hml(2),lmd(2),lmd1(2) | ^ note: 'lmd1' declared here Compiling paw_inner_loop.F... paw_inner_loop.F:327:32: 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:327:40: 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:345:44: 303 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 345 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:392:28: 375 | > dn_cmp_smooth, | 2 ...... 392 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:409:32: 304 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 409 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:410:32: 305 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 410 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:411:35: 306 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 411 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop.F:603:41: 491 | call paw_ovlp_S(n2(ispin),psi1,psi2) ! psi2 = S*psi1 | 2 ...... 603 | call paw_ovlp_S(n2(ispin),psi1,psi_r) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop.F:675:25: 376 | > dcpl_mb(dng(1)), | 2 ...... 675 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling paw_inner_loop_md.F... paw_inner_loop_md.F:331:32: 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:331:40: 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_inner_loop_md.F:356:44: 307 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 356 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:403:28: 386 | > dn_cmp_smooth, | 2 ...... 403 | > dcpl_mb(vh(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:420:32: 308 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... 420 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:421:32: 309 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... 421 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:422:35: 310 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... 422 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). paw_inner_loop_md.F:722:23: 387 | > dcpl_mb(dng(1)), | 2 ...... 722 | > dn_cmp_smooth, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling psi_marat_write.F... Compiling paw_output.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cpsd' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cpsd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_sd.o paw_cpmd.o paw_inner_loop.o paw_inner_loop_md.o psi_marat_write.o paw_output.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cpsd' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cpsd' Making all in cgsd gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cgsd' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cgsd' Compiling paw_energy.F... Compiling paw_noit_energy.F... Compiling paw_gradient.F... Compiling paw_stress.F... Compiling paw_minimizer.F... paw_minimizer.F:500:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 500 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_minimizer.F:511:25: 497 | value = btdb_put(rtdb,'paw:energy',mt_dbl,1,EV) | 2 ...... 511 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_minimizer.F:505:72: 505 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] paw_minimizer.F:64:25: 64 | integer i,k,ia,nion,minimizer,mapping,lmax,mapping1d | ^ note: 'nion' was declared here Compiling paw_cgsd_energy.F... Compiling paw_cgminimize.F... Compiling paw_bfgsminimize.F... Compiling paw_nominimize.F... Compiling paw_sdminimize.F... Compiling paw_cgsd_noit_energy.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cgsd' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cgsd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_energy.o paw_noit_energy.o paw_gradient.o paw_stress.o paw_minimizer.o paw_cgsd_energy.o paw_cgminimize.o paw_bfgsminimize.o paw_nominimize.o paw_sdminimize.o paw_cgsd_noit_energy.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cgsd' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cgsd' Making all in cell_optimize gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cell_optimize' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cell_optimize' Compiling paw_stress_numerical.F... Compiling paw_stress_fd.F... paw_stress_fd.F:91:53: 79 | > mt_log,1,lstress_numerical)) | 2 ...... 91 | > btdb_get(rtdb,'nwpw:stress_alpha',mt_dbl,1,alpha)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). paw_stress_fd.F:134:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 134 | call ycopy(9,unita,1,unita2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:183:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 183 | call ycopy(9,unita,1,unita3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:237:19: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 237 | call ycopy(9,ke_stress,1,stress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) paw_stress_fd.F:263:25: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 263 | call ycopy(6,lattice,1,lattice2,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:308:25: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 308 | call ycopy(6,lattice,1,lattice3,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_stress_fd.F:362:22: 120 | call ycopy(9,0.0d0,0,ke_stress, 1) | 2 ...... 362 | call ycopy(6,ke_lstress,1,lstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling paw_cell_optimize.F... paw_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) paw_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling paw_update_unitcell.F... paw_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] paw_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cell_optimize' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cell_optimize' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a paw_stress_numerical.o paw_stress_fd.o paw_cell_optimize.o paw_update_unitcell.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cell_optimize' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw/cell_optimize' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a task_paw.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpaw.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/paw' Making all in band gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band' Compiling band_input.F... band_input.F:282:54: 279 | > mulliken) | 2 ...... 282 | value = rtdb_put(rtdb,'band:fake_mass',mt_dbl,1,fake_mass) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band' Compiling task_band.F... Compiling band_energy.F... band_energy.F:69:51: 40 | if (.not.rtdb_get(rtdb,'nwpw:rho_use_symmetry',mt_log,1,use_sym)) | 2 ...... 69 | if (rtdb_get(rtdb,'band:wcut',mt_dbl,1,wcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). band_energy.F:86:58: 59 | > mt_log,1,.false.)) | 2 ...... 86 | value = rtdb_put(rtdb,'band:wcut',mt_dbl,1,wcut) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling band_noit_energy.F... Compiling band_gradient.F... Compiling band_stress.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band' Making all in minimizer gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/minimizer' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/minimizer' Compiling band_minimizer.F... band_minimizer.F:648:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 648 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_minimizer.F:658:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 658 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_minimizer.F:661:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) | 2 ...... 661 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_minimizer.F:652:72: 652 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] band_minimizer.F:61:25: 61 | integer i,k,ia,nion,vers,nbrillioun,nb,ms | ^ note: 'nion' was declared here Compiling c_cgsd_energy.F... Compiling c_cgsd_noit_energy.F... Compiling c_cgsd_energy_gradient.F... Compiling c_cgsd_energy_stress.F... c_cgsd_energy_stress.F:64:19: 38 | call ycopy(9,0.0d0,0,stress,1) | 2 ...... 64 | call ycopy(9,tstress,1,xcstress,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling c_cgsd_excited.F... Compiling c_cgminimize.F... Compiling c_cgminimize2.F... Compiling c_cgminimizeABC.F... Compiling c_bfgsminimize.F... Compiling c_bfgsminimizeABC.F... Compiling c_bybminimize0.F... Compiling c_bybminimize.F... Compiling c_bybminimize2.F... c_bybminimize2.F:318:20: 283 | > dbl_mb(rho_in(1)),1, | 2 ...... 318 | > dcpl_mb(rho_out(1)),1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_bybminimize2.F:319:20: 284 | > dbl_mb(rho_junk(1)),1) | 2 ...... 319 | > dcpl_mb(rho_junk(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling c_sdminimize.F... Compiling c_nominimize.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/minimizer' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/minimizer' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a band_minimizer.o c_cgsd_energy.o c_cgsd_noit_energy.o c_cgsd_energy_gradient.o c_cgsd_energy_stress.o c_cgsd_excited.o c_cgminimize.o c_cgminimize2.o c_cgminimizeABC.o c_bfgsminimize.o c_bfgsminimizeABC.o c_bybminimize0.o c_bybminimize.o c_bybminimize2.o c_sdminimize.o c_nominimize.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/minimizer' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/minimizer' Making all in structure gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/structure' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/structure' Compiling band_structure.F... band_structure.F:693:38: 567 | > isize,dbl_mb(eigs_dos(1)))) then | 2 ...... 693 | > mt_int,1,norbs_dos)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[1]' was declared here band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[0]' was declared here band_structure.F:745:72: 745 | dist=dsqrt((f4-kold(1))**2+(f5-kold(2))**2+(f6-kold(3))**2) | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_structure.F:60:37: 60 | real*8 pathlength,dist,kold(3),emin,emax,lmbda,rcut | ^ note: 'kold[2]' was declared here Compiling band_interpolate_structure.F... band_interpolate_structure.F:264:72: 264 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here band_interpolate_structure.F:263:72: 263 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here band_interpolate_structure.F:262:72: 262 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_interpolate_structure.F:22:33: 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here Compiling band_kp_structure.F... band_kp_structure.F:192:72: 192 | dist = dist + (kv(3)-kold(3))**2 | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[2]' was declared here band_kp_structure.F:191:72: 191 | dist = dist + (kv(2)-kold(2))**2 | ^ Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[1]' was declared here band_kp_structure.F:190:72: 190 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] band_kp_structure.F:23:33: 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here Compiling band_fft_structure.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/structure' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/structure' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a band_structure.o band_interpolate_structure.o band_kp_structure.o band_fft_structure.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/structure' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/structure' Making all in cpsd gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cpsd' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cpsd' Compiling band_sd.F... band_sd.F:922:72: 922 | write(luout,1457) E(20),E(20)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here band_sd.F:932:72: 932 | write(luout,1502) E(21),E(21)/n2(ispin) | ^ Warning: 'n2' may be used uninitialized [-Wmaybe-uninitialized] band_sd.F:43:31: 43 | integer ne(2),n1(2),n2(2),nemax,neq(2),nemaxq,neall | ^ note: 'n2' declared here Compiling band_cpmd.F... band_cpmd.F:1128:72: 1128 | eave = E(25)/dble(icount+icount_shift) | ^ Warning: 'icount_shift' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:89:46: 89 | integer icount,it_in,it_out,icount_shift | ^ note: 'icount_shift' was declared here band_cpmd.F:1061:72: 1061 | call print_elapsed_time(icount*it_in*dt) | ^ Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] band_cpmd.F:85:22: 85 | real*8 EV,pi,dt,a,b,c,alpha,beta,gamma | ^ note: 'dt' was declared here Compiling band_inner_loop.F... band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop.F:389:72: 389 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) Compiling band_inner_loop_md.F... band_inner_loop_md.F:311:35: 154 | call ycopy(2*nfft3d,0.0d0,0,dbl_mb(xcp(1)),1) | 2 ...... 311 | call ycopy(ispin*nfft3d,dn,1,dbl_mb(dnall(1)),1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:425:72: 425 | > dte,sse) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:441:72: 441 | > dte,sa1,sa2) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi0' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:466:72: 466 | > dte,s*dt*sa_alpha(1)) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) band_inner_loop_md.F:609:36: 609 | call Cram_c_SMul1(nb,-h,dbl_mb(psi0_shift)) | 1 ...... 757 | call Cram_c_SMul1(nb,2.0d0*sse,psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:611:31: 611 | > dbl_mb(psi2_shift), | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:612:31: 612 | > dbl_mb(psi0_shift)) | 1 ...... 807 | call Cram_cc_daxpy(nb,dt,psi0(1,n),psi2(1,n)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_inner_loop_md.F:516:17: 516 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here band_inner_loop_md.F:535:18: 535 | if (np.gt.1) call Parallel_SumAll(eke) | ^ Warning: 'np' may be used uninitialized [-Wmaybe-uninitialized] band_inner_loop_md.F:41:38: 41 | integer n2ft3d,np_i,np_j,np_k,np,nbq,nemaxq | ^ note: 'np' declared here gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cpsd' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cpsd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a band_sd.o band_cpmd.o band_inner_loop.o band_inner_loop_md.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cpsd' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cpsd' Making all in cell_optimize gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cell_optimize' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cell_optimize' Compiling band_stress_numerical.F... Compiling band_stress_fd.F... Compiling band_cell_optimize.F... band_cell_optimize.F:42:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 42 | > mt_int,6,optimize_lattice) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) band_cell_optimize.F:46:32: 34 | > mt_int,1,optimize_strategy) | 2 ...... 46 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling band_update_unitcell.F... band_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) | ^ Warning: 'r1' may be used uninitialized [-Wmaybe-uninitialized] band_update_unitcell.F:15:19: 15 | integer r1(2),nion,nionplus3 | ^ note: 'r1' declared here gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cell_optimize' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cell_optimize' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a band_stress_numerical.o band_stress_fd.o band_cell_optimize.o band_update_unitcell.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cell_optimize' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/cell_optimize' Making all in kbpp gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/kbpp' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/kbpp' Compiling cpsp_formatter_auto.F... Compiling borbs_formatter.F... Compiling kbpp_band.F... kbpp_band.F:113:27: 112 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 113 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). kbpp_band.F:368:23: 366 | call iwrite(2,psp_type,1) | 2 367 | call iwrite(2,version,1) 368 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band.F:371:23: 369 | call dwrite(2,unita,9) | 2 370 | call cwrite(2,atom,2) 371 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:372:23: 369 | call dwrite(2,unita,9) | 2 ...... 372 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band.F:388:23: 369 | call dwrite(2,unita,9) | 2 ...... 388 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling kbpp_band_orb.F... kbpp_band_orb.F:104:48: 97 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 104 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:240:23: 239 | call iwrite(2,version,1) | 2 240 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_orb.F:245:23: 241 | call dwrite(2,unita,9) | 2 ...... 245 | call dwrite(2,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_band_orb.F:246:23: 241 | call dwrite(2,unita,9) | 2 ...... 246 | call dwrite(2,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling setup_kbpp_band.f... Compiling integrate_kbpp_band_local.F... Compiling integrate_kbpp_band_nonlocal.F... Compiling integrate_kbpp_band_orb.F... Compiling kbpp_band_ray.F... Compiling integrate_kbpp_band_ray.F... Compiling integrate_kbpp_band_local_new.F... Compiling integrate_kbpp_band_nonlocal_new.F... Compiling cpsp_stress_formatter_auto.F... Compiling kbpp_band_stress.F... kbpp_band_stress.F:106:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 105 | call BRDCST(9+MSGDBL,amass,mdtob(msglen),MASTER) 106 | call BRDCST(9+MSGINT,lmax0,mitob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). kbpp_band_stress.F:110:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 2 ...... 110 | call BRDCST(9+MSGDBL,rc,mdtob(msglen),MASTER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_band_stress.F:316:23: 315 | call iwrite(2,version,1) | 2 316 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_band_stress_local.F... Compiling integrate_kbpp_band_stress_nonlocal.F... Compiling integrate_kbpp_band_stress_ray.F... Compiling integrate_kbpp_band_stress_local_new.F... Compiling integrate_kbpp_band_stress_nonlocal_new.F... Compiling HGH_band_local.F... Compiling HGH_band_nonlocal.F... Compiling Tesseral_band.F... Compiling Spherical_band.F... Compiling hghpp_band.F... hghpp_band.F:123:27: 118 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) | 2 ...... 123 | call BRDCST(9+MSGDBL,rloc,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). hghpp_band.F:374:23: 372 | call iwrite(2,psp_type,1) | 2 373 | call iwrite(2,version,1) 374 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) hghpp_band.F:377:23: 375 | call dwrite(2,unita,9) | 2 376 | call cwrite(2,atom,2) 377 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:378:23: 375 | call dwrite(2,unita,9) | 2 ...... 378 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:395:23: 375 | call dwrite(2,unita,9) | 2 ...... 395 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) hghpp_band.F:472:25: 375 | call dwrite(2,unita,9) | 2 ...... 472 | call dwrite(2,dcpl_mb(vnlso_indx),2*nsize*nprj) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling rkbpp_band.F... rkbpp_band.F:581:32: 581 | call ycopy(ngsize,0.0d0,0,vl,1) | 1 ...... 697 | call ycopy(nprj*ngx*ngy*ngz*4,0.0d0,0,vnl,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:625:43: 625 | call Parallel_Vector_SumAll(4*ngsize,rho_sc_k) | 1 ...... 773 | call Parallel_Vector_SumAll(ngx*ngy*ngz*4*nprj,vnl) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). rkbpp_band.F:108:27: 107 | call BRDCST(9+MSGINT,pspx,mitob(msglen),MASTER) | 2 108 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). rkbpp_band.F:341:22: 339 | call iwrite(2,psp_type,1) | 2 340 | call iwrite(2,version,1) 341 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) rkbpp_band.F:344:22: 342 | call dwrite(2,unita,9) | 2 343 | call cwrite(2,atom,2) 344 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:345:22: 342 | call dwrite(2,unita,9) | 2 ...... 345 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:359:22: 342 | call dwrite(2,unita,9) | 2 ...... 359 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) rkbpp_band.F:363:22: 342 | call dwrite(2,unita,9) | 2 ...... 363 | call dwrite(2,dcpl_mb(vnl_indx),nsize*nprj_out*4) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). rkbpp_band.F:854:72: 854 | return | ^ Warning: '__result_sjx' may be used uninitialized [-Wmaybe-uninitialized] rkbpp_band.F:791:25: 791 | real*8 function sjx(x,l,cosx,sinx) | ^ note: '__result_sjx' was declared here Compiling kbpp_e_band.F... kbpp_e_band.F:125:48: 118 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 125 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:126:49: 120 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 126 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:386:23: 384 | call iwrite(2,psp_type,1) | 2 385 | call iwrite(2,version,1) 386 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band.F:389:23: 387 | call dwrite(2,unita,9) | 2 388 | call cwrite(2,atom,2) 389 | call dwrite(2,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:390:23: 387 | call dwrite(2,unita,9) | 2 ...... 390 | call dwrite(2,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) kbpp_e_band.F:405:23: 387 | call dwrite(2,unita,9) | 2 ...... 405 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling integrate_kbpp_e_band_nonlocal.F... Compiling integrate_kbpp_e_band_nonlocal_new.F... Compiling integrate_kbpp_e_band_local.F... Compiling integrate_kbpp_e_band_local_new.F... Compiling integrate_kbpp_e_band_ray.F... Compiling kbpp_e_band_stress.F... kbpp_e_band_stress.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 2 ...... 117 | call Parallel_Brdcst_values(MASTER,msglen,rc) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:118:49: 111 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) | 2 ...... 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_expansion) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) kbpp_e_band_stress.F:336:23: 335 | call iwrite(2,version,1) | 2 336 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_kbpp_e_band_stress_local.F... Compiling integrate_kbpp_e_band_stress_local_new.F... Compiling integrate_kbpp_e_band_stress_ray.F... Compiling integrate_kbpp_e_band_stress_nonlocal.F... Compiling integrate_kbpp_e_band_stress_nonlocal_new.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/kbpp' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/kbpp' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/kbpp' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/kbpp' Making all in makepsi gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/makepsi' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/makepsi' Compiling c_wvfnc_new.F... c_wvfnc_new.F:188:20: 187 | call iwrite(6,version,1) | 2 188 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:197:20: 187 | call iwrite(6,version,1) | 2 ...... 197 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_new.F:219:24: 189 | call dwrite(6,unita,9) | 2 ...... 219 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) !** should be writing zeros ** | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_new.F:305:30: 189 | call dwrite(6,unita,9) | 2 ...... 305 | call dwrite(6,rz,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:307:30: 189 | call dwrite(6,unita,9) | 2 ...... 307 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_new.F:309:30: 189 | call dwrite(6,unita,9) | 2 ...... 309 | call dwrite(6,ry,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling c_wvfnc_expander.F... c_wvfnc_expander.F:58:19: 57 | call iread(5,version,1) | 2 58 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:66:19: 57 | call iread(5,version,1) | 2 ...... 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:79:20: 78 | call iwrite(6,version,1) | 2 79 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:82:20: 78 | call iwrite(6,version,1) | 2 ...... 82 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_expander.F:111:23: 59 | call dread(5,unita,9) | 2 ...... 111 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:118:24: 80 | call dwrite(6,unita,9) | 2 ...... 118 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_expander.F:127:23: 59 | call dread(5,unita,9) | 2 ...... 127 | call dread(5,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) c_wvfnc_expander.F:128:24: 80 | call dwrite(6,unita,9) | 2 ...... 128 | call dwrite(6,rx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling c_wvfnc_adjust.F... c_wvfnc_adjust.F:169:19: 168 | call iread(5,version,1) | 2 169 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:172:19: 168 | call iread(5,version,1) | 2 ...... 172 | call iread(5,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:179:20: 178 | call iwrite(6,version,1) | 2 179 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:182:20: 178 | call iwrite(6,version,1) | 2 ...... 182 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:227:22: 168 | call iread(5,version,1) | 2 ...... 227 | call iread(3,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:230:22: 168 | call iread(5,version,1) | 2 ...... 230 | call iread(3,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:248:28: 170 | call dread(5,unita,9) | 2 ...... 248 | call dread(5,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:310:26: 180 | call dwrite(6,unita,9) | 2 ...... 310 | call dwrite(6,dcpl_mb(cfull_indx),2*nfft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_wvfnc_adjust.F:463:19: 168 | call iread(5,version,1) | 2 ...... 463 | call iread(4,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:466:19: 168 | call iread(5,version,1) | 2 ...... 466 | call iread(4,ne0,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:419:19: 168 | call iread(5,version,1) | 2 ...... 419 | call iread(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_wvfnc_adjust.F:422:19: 168 | call iread(5,version,1) | 2 ...... 422 | call iread(2,nex,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_v_wvfnc_new.F... c_v_wvfnc_new.F:56:20: 55 | call iwrite(6,version,1) | 2 56 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:64:20: 55 | call iwrite(6,version,1) | 2 ...... 64 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) c_v_wvfnc_new.F:74:24: 57 | call dwrite(6,unita,9) | 2 ...... 74 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling pspw_reformat_c_wvfnc.F... pspw_reformat_c_wvfnc.F:53:19: 52 | call iread(5,version,1) | 2 53 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:56:19: 52 | call iread(5,version,1) | 2 ...... 56 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:70:20: 69 | call iwrite(6,version,1) | 2 70 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:73:20: 69 | call iwrite(6,version,1) | 2 ...... 73 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:121:24: 54 | call dread(5,unita,9) | 2 ...... 121 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:125:24: 71 | call dwrite(6,unita,9) | 2 ...... 125 | call dwrite(6,dcpl_mb(cfull_out(1)),2*nfft3d_out) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_reformat_c_wvfnc.F:200:19: 52 | call iread(5,version,1) | 2 ...... 200 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:203:19: 52 | call iread(5,version,1) | 2 ...... 203 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:217:20: 69 | call iwrite(6,version,1) | 2 ...... 217 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:220:20: 69 | call iwrite(6,version,1) | 2 ...... 220 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:348:19: 52 | call iread(5,version,1) | 2 ...... 348 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:351:19: 52 | call iread(5,version,1) | 2 ...... 351 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:365:20: 69 | call iwrite(6,version,1) | 2 ...... 365 | call iwrite(6,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) pspw_reformat_c_wvfnc.F:368:20: 69 | call iwrite(6,version,1) | 2 ...... 368 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/makepsi' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/makepsi' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/makepsi' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/makepsi' Making all in lib gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib' Making all in cpsp gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/cpsp' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/cpsp' Compiling cpsp.F... cpsp.F:1954:22: 1952 | call iread(5,psp_type,1) | 2 1953 | call iread(5,version,1) 1954 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1957:22: 1955 | call dread(5,unita,9) | 2 1956 | call cread(5,atom,2) 1957 | call dread(5,amass,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1958:22: 1955 | call dread(5,unita,9) | 2 ...... 1958 | call dread(5,zv,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:1967:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1967 | call iread(5,n_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1968:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1968 | call iread(5,l_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1969:24: 1952 | call iread(5,psp_type,1) | 2 ...... 1969 | call iread(5,m_projector,nprj) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:1982:22: 1955 | call dread(5,unita,9) | 2 ...... 1982 | call dread(5,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2022:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2022 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2034:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2034 | call Parallel_Brdcst_values(MASTER,msglen,amass) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2036:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2036 | call Parallel_Brdcst_values(MASTER,msglen,zv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:2048:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2048 | call Parallel_Brdcst_ivalues(MASTER,msglen,n_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2049:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2049 | call Parallel_Brdcst_ivalues(MASTER,msglen,l_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2050:49: 2011 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 2050 | call Parallel_Brdcst_ivalues(MASTER,msglen,m_projector) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp.F:2061:48: 2024 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 2061 | call Parallel_Brdcst_values(MASTER,msglen,rcore) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cpsp.F:113:37: 113 | call ycopy(npsp*npack0,0.0d0,0,dbl_mb(vl(1)),1) | 1 ...... 1390 | call ycopy(2*nn*nprj,0.0d0,0,zsw2,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:857:48: 771 | call C3dB_Vector_Sumall((3*ne(1)),dbl_mb(sum(1))) | 2 ...... 857 | call C3dB_Vector_SumAll((2*nn*nproj),dcpl_mb(zsw1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:964:32: 964 | call yaxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1402 | call yaxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:964:50: 964 | call yaxpy(3*nion,1.0d0,dbl_mb(ftmp(1)),1,fion,1) | 1 ...... 1402 | call yaxpy(2*nn,G(nb,na,la),zsw1(1,a),1,zsw2(1,b),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp.F:1566:23: 884 | > dbl_mb(psi2_shift), npack1) | 2 ...... 1566 | > orb2, npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp.F:734:72: 734 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:735:72: 735 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:736:72: 736 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:639:25: 639 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:938:72: 938 | occ_shift = occ_shift+1 | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:643:31: 643 | integer occ_tag,occ_shift,occ1_shift | ^ note: 'occ_shift' was declared here cpsp.F:1104:72: 1104 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp.F:1105:72: 1105 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp.F:1106:72: 1106 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1009:25: 1009 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp.F:1308:72: 1308 | occ_shift = occ_shift+1 | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1013:31: 1013 | integer occ_tag,occ_shift,occ1_shift | ^ note: 'occ_shift' was declared here cpsp.F:1814:72: 1814 | occ_shift = occ_shift+1 | ^ Warning: 'occ_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsp.F:1609:43: 1609 | integer occ1_tag,occ1_shift,occ_shift | ^ note: 'occ_shift' was declared here Compiling cpsp_relativistic.F... cpsp_relativistic.F:542:22: 335 | > orb2, npack1) | 2 ...... 542 | > dbl_mb(psi2_shift), npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:584:48: 294 | call C3dB_Vector_SumAll((2*nproj),dcpl_mb(zsw1u(1))) | 2 ...... 584 | call C3dB_Vector_Sumall(3*(nn),dbl_mb(sum(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsp_relativistic.F:1168:34: 512 | > dbl_mb(psi1_shift), | 2 ...... 1168 | > psi1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:1394:15: 556 | > dbl_mb(psi_shift), | 2 ...... 1394 | > psi(pshftu), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsp_relativistic.F:570:72: 570 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp_relativistic.F:571:72: 571 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:572:72: 572 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:383:25: 383 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here cpsp_relativistic.F:837:72: 837 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[0]' was declared here cpsp_relativistic.F:838:72: 838 | call C3dB_t_Copy(1,dbl_mb(G(2)),dbl_mb(Gy(1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[1]' was declared here cpsp_relativistic.F:839:72: 839 | call C3dB_t_Copy(1,dbl_mb(G(3)),dbl_mb(Gz(1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] cpsp_relativistic.F:650:25: 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here Compiling cpsp_projector.F... Compiling cpsp_stress.F... cpsp_stress.F:587:22: 586 | call iread(5,version,1) | 2 587 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_stress.F:615:49: 605 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 615 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsp_stress.F:249:56: 249 | integer nproj,l_prj,psi1_shift,occ1_tag,occ1_shift,occ_shift | ^ Warning: 'occ1_shift' may be used uninitialized [-Wmaybe-uninitialized] Compiling c_semicore.F... c_semicore.F:459:32: 436 | call ycopy(nfft3d,dbl_mb(c_G_indx(u)),1,dcpl_mb(Gu),1) | 2 ...... 459 | call ycopy(nfft3d,0.0d0,0,Aus,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling c_semicore_force.F... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/cpsp' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/cpsp' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/cpsp' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/cpsp' Making all in ke gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/ke' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/ke' Compiling cke.F... cke.F:236:23: 161 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 236 | > orb1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:237:23: 161 | > dbl_mb(shift1),dbl_mb(shift2)) | 2 ...... 237 | > orb2) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:559:72: 559 | if (.not. value) call errquit('out of stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_11' at (1) cke.F:566:30: 460 | call Cram_cc_dot(nbq,dbl_mb(psi_shift), | 2 ...... 566 | call Cram_cc_dot(nbq,psi(1,n),psi(1,n),x) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cke.F:594:72: 594 | if (.not. value) call errquit('error popping stack memory',0) | 1 Warning: Missing actual argument for argument '_formal_11' at (1) gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/ke' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/ke' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a cke.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/ke' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/ke' Making all in coulomb gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/coulomb' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/coulomb' Compiling c_coulomb.F... Compiling c_coulomb_screened.F... c_coulomb_screened.F:190:32: 165 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 190 | call ycopy(nfft3d,0.0d0,0,dbl_mb(glr(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). c_coulomb_screened.F:577:24: 165 | call ycopy(2*nfft3d,0.0d0,0,dcpl_mb(gk(1)),1) | 2 ...... 577 | call ycopy(n2ft3d,dcpl_mb(gk(1)), 1,dbl_mb(gr(1)), 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_coulomb_screened.F:609:27: 259 | call C3dB_rc_fft3f(1,dcpl_mb(gk(1))) | 2 ...... 609 | call C3dB_rc_fft3f(1,dbl_mb(gr(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/coulomb' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/coulomb' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a c_coulomb.o c_coulomb_screened.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/coulomb' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/coulomb' Making all in electron gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/electron' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/electron' Compiling c_electron.F... c_electron.F:1893:25: 1765 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1893 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1893:42: 1765 | call Cram_c_Copy(nb,dbl_mb(shiftk),dbl_mb(shiftr)) | 2 ...... 1893 | call Cram_c_Copy(0,dcpl_mb(tmp1(1)),dng) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:1902:35: 1874 | call C3dB_r_SMul1(1,scal2,dn) | 2 ...... 1902 | call C3dB_r_SMul1(1,0.5d0,dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:320:28: 320 | call Cram_c_unpack(nb,dcpl_mb(tmp_r(1))) | 1 ...... 1767 | call Cram_c_unpack(nb, dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:321:31: 321 | call C3dB_cr_pfft3b(1,nb,dcpl_mb(tmp_r(1))) | 1 ...... 1769 | call C3dB_cr_pfft3b(1,nb,dbl_mb(shiftr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:328:20: 328 | > orb, | 1 ...... 1538 | > dbl_mb(psik_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:329:20: 329 | > dcpl_mb(tmp_r(1)), | 1 ...... 1539 | > dbl_mb(psir_shift), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:330:20: 330 | > Horb) | 1 ...... 1540 | > dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:331:36: 331 | call Cram_c_SMul1(nb,(-1.0d0),Horb) | 1 ...... 1545 | call Cram_c_SMul1(nb,(-1.0d0),dbl_mb(hpsi_shift)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'psi2' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:377:72: 377 | > dte) | 1 Warning: Type mismatch in argument 'hpsi' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:1352:72: 1352 | call print_hml_tmp(ne(1),dbl_mb(hml_shift)) | 1 Warning: Type mismatch in argument 'a' at (1); passed REAL(8) to COMPLEX(8) c_electron.F:2111:26: 1829 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 2111 | call ycopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_electron.F:2111:45: 1829 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 2 ...... 2111 | call ycopy(4*nfft3d,dcpl_mb(vall(1)),1,vall_out,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpsi_H.F... cpsi_H.F:173:31: 173 | > dbl_mb(Hpsi_shift)) | 1 ...... 454 | > Horb_k) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:326:29: 148 | > call C3dB_bb_Sum2(1,dbl_mb(Hpsir_shift),dcpl_mb(vpsi(1))) | 2 ...... 326 | > call C3dB_bb_Sum2(1,dcpl_mb(Horb_r(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_H.F:553:31: 437 | > orb_r, | 2 ...... 553 | > dbl_mb(psi_shift), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_H.F:148:72: 148 | > call C3dB_bb_Sum2(1,dbl_mb(Hpsir_shift),dcpl_mb(vpsi(1))) | ^ Warning: 'hpsir_shift' may be used uninitialized [-Wmaybe-uninitialized] cpsi_H.F:33:46: 33 | integer psi_shift,Hpsi_shift,Hpsir_shift,nshift1,nshift2 | ^ note: 'hpsir_shift' was declared here cpsi_H.F:283:72: 283 | call ycopy(2*nfft3d,0.0d0,0,dbl_mb(Horb_r(1)),1) | ^ Warning: 'horb_r' may be used uninitialized [-Wmaybe-uninitialized] cpsi_H.F:246:31: 246 | integer vpsi(2),Horb_r(2) | ^ note: 'horb_r' declared here gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/electron' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/electron' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a c_electron.o cpsi_H.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/electron' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/electron' Making all in psi gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/psi' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/psi' Compiling cpsi.F... cpsi.F:1431:72: 1431 | call c_electron_run00(nb,psi2_tag) | 1 Warning: More actual than formal arguments in procedure call at (1) cpsi.F:4070:33: 203 | > dbl_mb(rho1(1)),1) | 2 ...... 4070 | call ycopy(2*isize,0.0d0,0,H,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi.F:4247:45: 4155 | call K1dB_Vector_SumAll(2*isize,H) | 2 ...... 4247 | call K1dB_Vector_SumAll(ne(1)+ne(2),dbl_mb(tmp(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi.F:4325:50: 3204 | > mt_log,1,psi_nogrid)) | 2 ...... 4325 | if (.not.btdb_get(rtdb,'dos:alpha',mt_dbl,1,alpha)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling c_geodesic.F... c_geodesic.F:928:25: 402 | > dbl_mb(ynewshift)) | 2 ...... 928 | > Ynew(1+(nb-1)*nbshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1018:25: 805 | > dbl_mb(tGshift),npack1, | 2 ...... 1018 | > tG(1+(nb-1)*nbshift),npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1507:30: 392 | > dbl_mb(vtshift), | 2 ...... 1507 | > dcpl_mb(Bdag), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1523:30: 1421 | > dbl_mb(cpsi_data_get_allptr(Vt_tag)), | 2 ...... 1523 | > dcpl_mb(tmp2(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). c_geodesic.F:1668:72: 1668 | denergy = denergy + denergyB | ^ Warning: 'denergy' is used uninitialized [-Wuninitialized] c_geodesic.F:1594:21: 1594 | real*8 denergy,denergyB,denergyA,denergyC,denergyBdag | ^ note: 'denergy' was declared here Compiling c_geodesic2.F... Compiling cpsi_lmbda.F... Compiling cpsi_lmbda2.F... cpsi_lmbda2.F:79:72: 79 | call cpsi_gen_UD(ms,nb,tmp(Bs),tmp(D)) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) cpsi_lmbda2.F:85:72: 85 | > failed) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) Compiling cpsi_KS.F... cpsi_KS.F:3326:33: 3324 | > dcpl_mb(r1(1))) | 2 3325 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(j-1)*nshift), 3326 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3327:33: 3323 | call Cram_c_Copy(nb,dbl_mb(psi1_shift+(i-1)*nshift), | 2 ...... 3327 | call Cram_c_Copy(nb,dcpl_mb(r1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:3049:29: 2743 | call Cram_cc_dot(nb,dcpl_mb(g(1)),dcpl_mb(g(1)),sum) | 2 ...... 3049 | call Cram_cc_dot(nb,dbl_mb(psi_ptr), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:3084:31: 3066 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 3084 | > dcpl_mb(t0(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:3241:25: 3066 | call Cram_cc_daxpy(nb,e0,dbl_mb(psi_ptr),dcpl_mb(r1(1))) | 2 ...... 3241 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1728:72: 1728 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1733:20: 1733 | > dbl_mb(psi_ptr), | 1 ...... 2743 | call Cram_cc_dot(nb,dcpl_mb(g(1)),dcpl_mb(g(1)),sum) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1748:36: 1748 | call Cram_c_SMul1(nb,sum,dbl_mb(psi_ptr)) | 1 ...... 2745 | call Cram_c_SMul1(nb,sum,dcpl_mb(g(1))) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_KS.F:1622:72: 1622 | > dbl_mb(psi1_shift+(i-1)*nshift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:1202:24: 1202 | > tau_t) | 1 ...... 3238 | > dbl_mb(psi_ptr)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). cpsi_KS.F:542:72: 542 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:618:72: 618 | > call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:707:72: 707 | call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2679:72: 2679 | call cpsi_project_out_virtual1(nb,ii,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8) cpsi_KS.F:2700:72: 2700 | call cpsi_corrector_orb(nb,dbl_mb(epsi_ptr)) | 1 Warning: Type mismatch in argument 'orb' at (1); passed REAL(8) to COMPLEX(8) Compiling BGrsm.F... BGrsm.F:113:34: 83 | call ycopy(nsize,0.0d0,0,A,1) | 2 ...... 113 | call ycopy(nsize,0.0d0,0,dbl_mb(a_shift),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). BGrsm.F:138:23: 83 | call ycopy(nsize,0.0d0,0,A,1) | 2 ...... 138 | call ycopy(nsize,A,1,C,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling cpsi_spin2.F... Compiling c_check.F... Compiling cpsi_read.F... cpsi_read.F:102:22: 101 | call iread(5,version,1) | 2 102 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:105:22: 101 | call iread(5,version,1) | 2 ...... 105 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:115:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 114 | msglen = 3 115 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:121:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 121 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:272:48: 209 | call cpsi_data_add(psi2_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 272 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). cpsi_read.F:403:22: 101 | call iread(5,version,1) | 2 ...... 403 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:406:22: 101 | call iread(5,version,1) | 2 ...... 406 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:415:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 415 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:421:56: 113 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) | 2 ...... 421 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:649:22: 101 | call iread(5,version,1) | 2 ...... 649 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:652:22: 101 | call iread(5,version,1) | 2 ...... 652 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:662:49: 660 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 661 | msglen = 3 662 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_read.F:668:49: 660 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 668 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_write.F... cpsi_write.F:108:26: 107 | call iwrite(6,version,1) | 2 108 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:117:26: 107 | call iwrite(6,version,1) | 2 ...... 117 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:310:26: 107 | call iwrite(6,version,1) | 2 ...... 310 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:319:26: 107 | call iwrite(6,version,1) | 2 ...... 319 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:449:23: 107 | call iwrite(6,version,1) | 2 ...... 449 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:458:23: 107 | call iwrite(6,version,1) | 2 ...... 458 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:462:24: 107 | call iwrite(6,version,1) | 2 ...... 462 | call iwrite(37,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:465:24: 107 | call iwrite(6,version,1) | 2 ...... 465 | call iwrite(37,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:589:23: 107 | call iwrite(6,version,1) | 2 ...... 589 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) cpsi_write.F:598:23: 107 | call iwrite(6,version,1) | 2 ...... 598 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling crho_read.F... crho_read.F:87:25: 86 | call iread(5,version,1) | 2 87 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) crho_read.F:110:56: 101 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) | 2 ...... 110 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling crho_write.F... crho_write.F:90:26: 89 | call iwrite(6,version,1) | 2 90 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling cpsi_new.F... Compiling v_cpsi_new.F... Compiling v_cpsi_read.F... v_cpsi_read.F:90:22: 89 | call iread(5,version,1) | 2 90 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:93:22: 89 | call iread(5,version,1) | 2 ...... 93 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:103:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 102 | msglen = 3 103 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:109:49: 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 109 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_read.F:203:50: 185 | call cpsi_data_add(psi0_tag,nbq,q,dcpl_mb(tmp2(1))) | 2 ...... 203 | call cpsi_data_add(l,nbq,n,dbl_mb(tmpe(1)+n-1)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling v_cpsi_write.F... v_cpsi_write.F:92:23: 91 | call iwrite(6,version,1) | 2 92 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) v_cpsi_write.F:101:23: 91 | call iwrite(6,version,1) | 2 ...... 101 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling c_rho_symmetrizer.F... Compiling cpsi_printeigall.F... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/psi' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/psi' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a cpsi.o c_geodesic.o c_geodesic2.o cpsi_lmbda.o cpsi_lmbda2.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o crho_read.o crho_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o c_rho_symmetrizer.o cpsi_printeigall.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/psi' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/psi' Making all in hfx gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/hfx' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/hfx' Compiling band_hfx.F... band_hfx.F:53:37: 41 | if (.not.btdb_get(rtdb,'band:HFX',mt_log,1,hfx_on)) | 2 ...... 53 | > mt_dbl,1,rcut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:357:72: 357 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:373:72: 373 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:424:72: 424 | > dbl_mb(cpsi_data_get_chnk(Hpsi_rep1_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:469:72: 469 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:498:72: 498 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb1))) | 1 Warning: Type mismatch in argument 'hpsi_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'psi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi1_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:515:72: 515 | > dbl_mb(cpsi_data_get_chnk(Hpsi_r_tag,nb2))) | 1 Warning: Type mismatch in argument 'hpsi2_r' at (1); passed REAL(8) to COMPLEX(8) band_hfx.F:588:37: 309 | call ycopy(4*nbrillq_max,0.0d0,0,dbl_mb(kw_rep1(1)),1) | 2 ...... 588 | call ycopy(2*nfft3d,0.0d0,0,Horb_r,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_hfx.F:599:72: 599 | > orb_r,Horb_r) | 1 Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8) gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/hfx' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/hfx' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a band_hfx.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/hfx' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/hfx' Making all in Grsm_list gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' Compiling band_Grsm_list.F... Compiling band_lmbfgs.F... band_lmbfgs.F:86:32: 30 | call yscal(ngras,(-1.0d0),g,1) | 2 ...... 86 | call yscal(ngras,(-1.0d0),dbl_mb(yy(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:88:40: 31 | call band_Grsm_list_store(2*m-1,g) | 2 ...... 88 | call band_Grsm_list_store(2*m-1,dbl_mb(yy(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:100:25: 95 | > dbl_mb(ss(1)),npack1, | 2 ...... 100 | > s,npack1, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_lmbfgs.F:103:35: 85 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_lmbfgs.F:103:51: 85 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) | 2 ...... 103 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a band_Grsm_list.o band_lmbfgs.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/Grsm_list' Making all in borbs gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/borbs' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/borbs' Compiling borbs.F... borbs.F:447:22: 446 | call iread(5,version,1) | 2 447 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:452:22: 448 | call dread(5,unita,9) | 2 ...... 452 | call dread(5,rcut,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:453:22: 448 | call dread(5,unita,9) | 2 ...... 453 | call dread(5,lmbda,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:494:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 494 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:501:49: 483 | call Parallel_Brdcst_ivalues(MASTER,msglen,ierr) | 2 ...... 501 | call Parallel_Brdcst_ivalues(MASTER,msglen,iatom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) borbs.F:509:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 509 | call Parallel_Brdcst_values(MASTER,msglen,rcut) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:510:48: 496 | call Parallel_Brdcst_values(MASTER,msglen,unita) | 2 ...... 510 | call Parallel_Brdcst_values(MASTER,msglen,lmbda) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) borbs.F:612:72: 612 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) Compiling borb_projector.F... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/borbs' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/borbs' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a borbs.o borb_projector.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/borbs' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib/borbs' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/lib' Making all in dplot gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/dplot' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/dplot' Compiling band_dplot_input.F... band_dplot_input.F:304:42: 82 | value = rtdb_put(rtdb,'band_dplot:count',mt_int,1,count) | 2 ...... 304 | > mt_dbl,3,o) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling band_dplot.F... band_dplot.F:661:49: 626 | call K1dB_Vector_SumAll(nfft3d,dbl_mb(rho(1))) | 2 ...... 661 | call K1dB_Vector_SumAll(2*nfft3d,dcpl_mb(orb(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_dplot.F:1018:30: 433 | if (btdb_get(rtdb,'band_dplot:3d_grid:nx',mt_int,1,i)) | 2 ...... 1018 | > mt_dbl,1,position_tolerance)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_dplot.F:895:30: 895 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1765 | call ycopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:895:38: 895 | call ycopy(ispin*nfft3d,0.0d0,0,dn,1) | 1 ...... 1765 | call ycopy(2*nfft3d,orb,1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). band_dplot.F:928:36: 928 | call yscal(ispin*nfft3d,scal2,dn,1) | 1 ...... 1766 | call yscal(2*nfft3d,scal1,dcpl_mb(tmp2(1)),1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling band_dplot_iteration.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/dplot' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/dplot' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/dplot' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/dplot' Making all in analysis gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis' Compiling band_analysis.F... band_analysis.F:161:40: 138 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then | 2 ...... 161 | > dbl_mb(b0(1)+(k-1)*6))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). band_analysis.F:312:44: 310 | call ycopy(nemax,0.0d0,0,dbl_mb(eig(1)),1) | 2 311 | call ycopy(nemax,0.0d0,0,dbl_mb(sum(1)),1) 312 | call ycopy(2*36*nion*nemax,0.0d0,0,dcpl_mb(a(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:333:49: 331 | call K1dB_Vector_SumAll(nemax,dbl_mb(eig(1))) | 2 332 | call K1dB_Vector_SumAll(nemax,dbl_mb(sum(1))) 333 | call K1dB_Vector_SumAll(2*36*nion*nemax,dcpl_mb(a(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). band_analysis.F:341:63: 341 | WRITE(luout,1510) N,SPN(SPIN),dbl_mb(sum_shift+N-1), | ^ Warning: 'sum_shift' may be used uninitialized [-Wmaybe-uninitialized] band_analysis.F:52:31: 52 | integer A_shift,sum_shift,psi_shift,eig_shift | ^ note: 'sum_shift' was declared here Compiling orb_pop_borb.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis' Making all in APC gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis/APC' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis/APC' Compiling band_APC.F... band_APC.F:55:52: 51 | if (.not.btdb_get(rtdb,'nwpw:APC',mt_log,1,doapc)) | 2 ...... 55 | value = btdb_get(rtdb,'nwpw_APC:nga',mt_int,1,nga) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling band_atom_Efield.F... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis/APC' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis/APC' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a band_APC.o band_atom_Efield.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis/APC' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis/APC' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a band_analysis.o orb_pop_borb.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band/analysis' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libband.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/band' Making all in ofpw gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw' Compiling ofpw_energy.F... Compiling task_ofpw.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw' Making all in minimizer gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/minimizer' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/minimizer' Compiling ofpw_minimizer.F... ofpw_minimizer.F:503:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 503 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_minimizer.F:514:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 514 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) ofpw_minimizer.F:517:25: 500 | value = btdb_put(rtdb,'ofpw:energy',mt_dbl,1,EV) | 2 ...... 517 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ofpw_minimizer.F:508:72: 508 | > 3*nion,dbl_mb(fion(1))) | ^ Warning: 'nion' may be used uninitialized [-Wmaybe-uninitialized] ofpw_minimizer.F:63:25: 63 | integer i,k,ia,nion,minimizer,mapping,mapping1d | ^ note: 'nion' was declared here Compiling ofpw_cgsd_energy.F... Compiling ofpw_cgminimize.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/minimizer' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/minimizer' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/minimizer' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/minimizer' Making all in cpsd gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/cpsd' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/cpsd' Compiling ofpwsd.F... Compiling inner_loop_ofpw.F... inner_loop_ofpw.F:160:32: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 160 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(v_wgc(1)),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). inner_loop_ofpw.F:196:34: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | 2 ...... 196 | call ycopy(2*npack1*ispin,psi2,1,psi1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:238:44: 211 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) | 2 ...... 238 | call Pack_c_Copy(0,dcpl_mb(tmp1(1)),dcpl_mb(dng(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:249:36: 234 | call D3dB_r_SMul(1,scal1,dbl_mb(rho(1)),dcpl_mb(tmp1(1))) | 2 ...... 249 | call D3dB_r_SMul(1,0.5d0,dcpl_mb(tmp1(1)),dcpl_mb(tmp1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:255:27: 233 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) | 2 ...... 255 | > dcpl_mb(tmp1(1)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). inner_loop_ofpw.F:160:72: 160 | call ycopy(n2ft3d,0.0d0,0,dbl_mb(v_wgc(1)),1) | ^ Warning: 'v_wgc' may be used uninitialized [-Wmaybe-uninitialized] inner_loop_ofpw.F:70:61: 70 | integer xcp(2),xce(2),dnall(2),v_tf(2),e_tf(2),v_wgc(2) | ^ note: 'v_wgc' declared here inner_loop_ofpw.F:141:72: 141 | call ycopy(2*npack0,0.0d0,0,dcpl_mb(vl(1)),1) | ^ Warning: 'vl' may be used uninitialized [-Wmaybe-uninitialized] inner_loop_ofpw.F:67:19: 67 | integer vl(2),vc(2),dng(2) | ^ note: 'vl' declared here Compiling chi_lmbda.f... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/cpsd' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/cpsd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/cpsd' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/cpsd' Making all in lib gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib' Making all in chi gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' Compiling chi_read.F... chi_read.F:73:22: 72 | call iread(5,version,1) | 2 73 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:76:22: 72 | call iread(5,version,1) | 2 ...... 76 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:84:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 83 | msglen = 3 84 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_read.F:90:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) | 2 ...... 90 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling chi_write.F... chi_write.F:86:23: 85 | call iwrite(6,version,1) | 2 86 | call iwrite(6,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_write.F:89:23: 85 | call iwrite(6,version,1) | 2 ...... 89 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling chi_new.F... Compiling chi_expander.F... chi_expander.F:60:19: 59 | call iread(5,version,1) | 2 60 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:63:19: 59 | call iread(5,version,1) | 2 ...... 63 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:72:20: 71 | call iwrite(6,version,1) | 2 72 | call iwrite(6,dngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:75:20: 71 | call iwrite(6,version,1) | 2 ...... 75 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) chi_expander.F:100:23: 61 | call dread(5,unita,9) | 2 ...... 100 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). chi_expander.F:106:24: 73 | call dwrite(6,unita,9) | 2 ...... 106 | call dwrite(6,dcpl_mb(dcfull(1)),dn2ft3d) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/chi' Making all in electron gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' Compiling chi_H.F... Compiling chi_Hv4.F... gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a chi_H.o chi_Hv4.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/electron' Making all in ke gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' Compiling v_thomasfermi.F... gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a v_thomasfermi.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/ke' Making all in WGC gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' Compiling wgc.F... wgc.F:345:51: 230 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1))) | 2 ...... 345 | call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:346:33: 231 | call D3dB_r_notZero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 346 | call D3dB_r_notZero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:347:37: 232 | call D3dB_r_Power1(1,wgc_tune1,dbl_mb(rho1(1))) | 2 ...... 347 | call D3dB_r_Power1(1,wgc_tune1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:348:30: 233 | call D3dB_r_Zero_Ends(1,dbl_mb(rho1(1))) | 2 ...... 348 | call D3dB_r_Zero_Ends(1,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:350:30: 235 | call D3dB_rc_pfft3f(1,0,dbl_mb(rho1(1))) | 2 ...... 350 | call D3dB_rc_pfft3f(1,0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). wgc.F:351:25: 236 | call Pack_c_pack(0,dbl_mb(rho1(1))) | 2 ...... 351 | call Pack_c_pack(0,dcpl_mb(rho1(1))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' gmake[5]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a wgc.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a gmake[5]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib/WGC' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib' gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw/lib' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a ofpw_energy.o task_ofpw.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libofpw.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw/ofpw' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpw.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpw.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpw.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpw.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwpw' Making libraries in fft gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft' Making all in pfft1.0 gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0' Making all in fftpack gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/fftpack' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/fftpack' Compiling dcfftb.F... Compiling scfftb.F... Compiling dcfftf.F... Compiling scfftf.F... Compiling dcffti.F... Compiling scffti.F... Compiling dcftb1.F... Compiling scftb1.F... Compiling dcftf1.F... Compiling scftf1.F... Compiling dcfti1.F... dcfti1.F:19:72: 19 | if (j.gt.4) ntry = ntry + 2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] dcfti1.F:18:22: 18 | if (j.le.4) ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling scfti1.F... scfti1.F:14:72: 14 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] scfti1.F:12:10: 12 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dpssb.F... Compiling spssb.F... Compiling dpssb2.F... dpssb2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2+wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2-wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb2.F... Compiling dpssb3.F... dpssb3.F:46:41: 33 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:47:43: 33 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:48:41: 33 | do 103 i=2,ido,2 | 2 ...... 48 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb3.F:49:43: 33 | do 103 i=2,ido,2 | 2 ...... 49 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb3.F... Compiling dpssb4.F... dpssb4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2-wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2+wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3-wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3+wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4-wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4+wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb4.F... Compiling dpssb5.F... dpssb5.F:81:43: 54 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i-1,k,2) = wa1(i-1)*dr2-wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:82:41: 54 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i,k,2) = wa1(i-1)*di2+wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:83:43: 54 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i-1,k,3) = wa2(i-1)*dr3-wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:84:41: 54 | do 103 i=2,ido,2 | 2 ...... 84 | ch(i,k,3) = wa2(i-1)*di3+wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:85:43: 54 | do 103 i=2,ido,2 | 2 ...... 85 | ch(i-1,k,4) = wa3(i-1)*dr4-wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:86:41: 54 | do 103 i=2,ido,2 | 2 ...... 86 | ch(i,k,4) = wa3(i-1)*di4+wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:87:43: 54 | do 103 i=2,ido,2 | 2 ...... 87 | ch(i-1,k,5) = wa4(i-1)*dr5-wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssb5.F:88:41: 54 | do 103 i=2,ido,2 | 2 ...... 88 | ch(i,k,5) = wa4(i-1)*di5+wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssb5.F... Compiling dpssf.F... Compiling spssf.F... Compiling dpssf2.F... dpssf2.F:25:41: 20 | do 103 i=2,ido,2 | 2 ...... 25 | ch(i,k,2) = wa1(i-1)*ti2-wa1(i)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf2.F:26:43: 20 | do 103 i=2,ido,2 | 2 ...... 26 | ch(i-1,k,2) = wa1(i-1)*tr2+wa1(i)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf2.F... Compiling dpssf3.F... dpssf3.F:44:41: 31 | do 103 i=2,ido,2 | 2 ...... 44 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:45:43: 31 | do 103 i=2,ido,2 | 2 ...... 45 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:46:41: 31 | do 103 i=2,ido,2 | 2 ...... 46 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf3.F:47:43: 31 | do 103 i=2,ido,2 | 2 ...... 47 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf3.F... Compiling dpssf4.F... dpssf4.F:51:43: 34 | do 103 i=2,ido,2 | 2 ...... 51 | ch(i-1,k,2) = wa1(i-1)*cr2+wa1(i)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:52:41: 34 | do 103 i=2,ido,2 | 2 ...... 52 | ch(i,k,2) = wa1(i-1)*ci2-wa1(i)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:53:43: 34 | do 103 i=2,ido,2 | 2 ...... 53 | ch(i-1,k,3) = wa2(i-1)*cr3+wa2(i)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:54:41: 34 | do 103 i=2,ido,2 | 2 ...... 54 | ch(i,k,3) = wa2(i-1)*ci3-wa2(i)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:55:43: 34 | do 103 i=2,ido,2 | 2 ...... 55 | ch(i-1,k,4) = wa3(i-1)*cr4+wa3(i)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf4.F:56:41: 34 | do 103 i=2,ido,2 | 2 ...... 56 | ch(i,k,4) = wa3(i-1)*ci4-wa3(i)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf4.F... Compiling dpssf5.F... dpssf5.F:76:43: 49 | do 103 i=2,ido,2 | 2 ...... 76 | ch(i-1,k,2) = wa1(i-1)*dr2+wa1(i)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:77:41: 49 | do 103 i=2,ido,2 | 2 ...... 77 | ch(i,k,2) = wa1(i-1)*di2-wa1(i)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:78:43: 49 | do 103 i=2,ido,2 | 2 ...... 78 | ch(i-1,k,3) = wa2(i-1)*dr3+wa2(i)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:79:41: 49 | do 103 i=2,ido,2 | 2 ...... 79 | ch(i,k,3) = wa2(i-1)*di3-wa2(i)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:80:43: 49 | do 103 i=2,ido,2 | 2 ...... 80 | ch(i-1,k,4) = wa3(i-1)*dr4+wa3(i)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:81:41: 49 | do 103 i=2,ido,2 | 2 ...... 81 | ch(i,k,4) = wa3(i-1)*di4-wa3(i)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:82:43: 49 | do 103 i=2,ido,2 | 2 ...... 82 | ch(i-1,k,5) = wa4(i-1)*dr5+wa4(i)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dpssf5.F:83:41: 49 | do 103 i=2,ido,2 | 2 ...... 83 | ch(i,k,5) = wa4(i-1)*di5-wa4(i)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf5.F... Compiling drfftb.F... Compiling srfftb.F... Compiling drfftf.F... Compiling srfftf.F... Compiling drffti.F... Compiling srffti.F... Compiling drftb1.F... Compiling srftb1.F... Compiling drftf1.F... Compiling srftf1.F... Compiling drfti1.F... Compiling srfti1.F... srfti1.F:16:72: 16 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] srfti1.F:14:10: 14 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here Compiling dradb2.F... dradb2.F:33:44: 28 | do i = 1, (ido - 1)/2 | 2 ...... 33 | ch(i*2,k,2) = wa1(i*2-1)*tr2 - wa1(i*2)*ti2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb2.F:34:46: 28 | do i = 1, (ido - 1)/2 | 2 ...... 34 | ch(1+i*2,k,2) = wa1(i*2-1)*ti2 + wa1(i*2)*tr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb2.F... Compiling dradb3.F... dradb3.F:46:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:47:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:48:44: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb3.F:49:46: 33 | do i = 1, ((ido - 1)/2) | 2 ...... 49 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb3.F... Compiling dradb4.F... dradb4.F:54:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 54 | ch(i*2,k,2) = wa1(i*2-1)*cr2 - wa1(i*2)*ci2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:55:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 55 | ch(1+i*2,k,2) = wa1(i*2-1)*ci2 + wa1(i*2)*cr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:56:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 56 | ch(i*2,k,3) = wa2(i*2-1)*cr3 - wa2(i*2)*ci3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:57:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 57 | ch(1+i*2,k,3) = wa2(i*2-1)*ci3 + wa2(i*2)*cr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:58:44: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 58 | ch(i*2,k,4) = wa3(i*2-1)*cr4 - wa3(i*2)*ci4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb4.F:59:46: 37 | do i = 1, ((ido - 1)/2) | 2 ...... 59 | ch(1+i*2,k,4) = wa3(i*2-1)*ci4 + wa3(i*2)*cr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb4.F... Compiling dradb5.F... dradb5.F:71:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 71 | ch(i*2,k,2) = wa1(i*2-1)*dr2 - wa1(i*2)*di2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:72:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 72 | ch(1+i*2,k,2) = wa1(i*2-1)*di2 + wa1(i*2)*dr2 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:73:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 73 | ch(i*2,k,3) = wa2(i*2-1)*dr3 - wa2(i*2)*di3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:74:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 74 | ch(1+i*2,k,3) = wa2(i*2-1)*di3 + wa2(i*2)*dr3 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:75:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 75 | ch(i*2,k,4) = wa3(i*2-1)*dr4 - wa3(i*2)*di4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:76:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 76 | ch(1+i*2,k,4) = wa3(i*2-1)*di4 + wa3(i*2)*dr4 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:77:44: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 77 | ch(i*2,k,5) = wa4(i*2-1)*dr5 - wa4(i*2)*di5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradb5.F:78:46: 44 | do i = 1, ((ido - 1)/2) | 2 ...... 78 | ch(1+i*2,k,5) = wa4(i*2-1)*di5 + wa4(i*2)*dr5 | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradb5.F... Compiling dradbg.F... Compiling sradbg.F... Compiling dradf2.F... dradf2.F:29:44: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf2.F:30:46: 28 | do i = 1, ((ido - 1)/2) | 2 29 | tr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 30 | ti2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf2.F... Compiling dradf3.F... dradf3.F:32:44: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:33:46: 31 | do i = 1, ((ido - 1)/2) | 2 32 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 33 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:34:44: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 34 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf3.F:35:46: 31 | do i = 1, ((ido - 1)/2) | 2 ...... 35 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf3.F... Compiling dradf4.F... dradf4.F:36:44: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:37:46: 35 | do i = 1, ((ido - 1)/2) | 2 36 | cr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 37 | ci2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:38:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 38 | cr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:39:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 39 | ci3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:40:44: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 40 | cr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf4.F:41:46: 35 | do i = 1, ((ido - 1)/2) | 2 ...... 41 | ci4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf4.F... Compiling dradf5.F... dradf5.F:41:44: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:42:46: 40 | do i = 1, ((ido - 1)/2) | 2 41 | dr2 = wa1(i*2-1)*cc(i*2,k,2) + wa1(i*2)*cc(1+i*2,k,2) 42 | di2 = wa1(i*2-1)*cc(1+i*2,k,2) - wa1(i*2)*cc(i*2,k,2) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:43:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 43 | dr3 = wa2(i*2-1)*cc(i*2,k,3) + wa2(i*2)*cc(1+i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:44:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 44 | di3 = wa2(i*2-1)*cc(1+i*2,k,3) - wa2(i*2)*cc(i*2,k,3) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:45:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 45 | dr4 = wa3(i*2-1)*cc(i*2,k,4) + wa3(i*2)*cc(1+i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:46:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 46 | di4 = wa3(i*2-1)*cc(1+i*2,k,4) - wa3(i*2)*cc(i*2,k,4) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:47:44: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 47 | dr5 = wa4(i*2-1)*cc(i*2,k,5) + wa4(i*2)*cc(1+i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) dradf5.F:48:46: 40 | do i = 1, ((ido - 1)/2) | 2 ...... 48 | di5 = wa4(i*2-1)*cc(1+i*2,k,5) - wa4(i*2)*cc(i*2,k,5) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf5.F... Compiling dradfg.F... Compiling sradfg.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/fftpack' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/fftpack' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpfft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpfft.a dcfftb.o scfftb.o dcfftf.o scfftf.o dcffti.o scffti.o dcftb1.o scftb1.o dcftf1.o scftf1.o dcfti1.o scfti1.o dpssb.o spssb.o dpssb2.o spssb2.o dpssb3.o spssb3.o dpssb4.o spssb4.o dpssb5.o spssb5.o dpssf.o spssf.o dpssf2.o spssf2.o dpssf3.o spssf3.o dpssf4.o spssf4.o dpssf5.o spssf5.o drfftb.o srfftb.o drfftf.o srfftf.o drffti.o srffti.o drftb1.o srftb1.o drftf1.o srftf1.o drfti1.o srfti1.o dradb2.o sradb2.o dradb3.o sradb3.o dradb4.o sradb4.o dradb5.o sradb5.o dradbg.o sradbg.o dradf2.o sradf2.o dradf3.o sradf3.o dradf4.o sradf4.o dradf5.o sradf5.o dradfg.o sradfg.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpfft.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpfft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpfft.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/fftpack' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/fftpack' Making all in pfft gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/pfft' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/pfft' Compiling blktrn.F... Compiling drain.F... Compiling fillup.F... Compiling mapfil.F... Compiling mapchk.F... Compiling prlst2.F... Compiling xstop.F... Compiling pairup.F... Compiling gexit.F... Compiling igdiff.F... Compiling lstcnt.F... Compiling lstind.F... Compiling pfft.F... Compiling pfft3d.F... Compiling prfft3.F... Compiling prfft.F... Compiling prffti.F... Compiling chk3d.F... Compiling mfftc1.F... Compiling mfftr1.F... Compiling mcfftr.F... Compiling mrfftr.F... Compiling pfft1i.F... Compiling pfft1.F... Compiling wrkspc2.F... gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/pfft' gmake[4]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/pfft' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpfft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpfft.a blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpfft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpfft.a gmake[4]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/pfft' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0/pfft' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfft1.0' Making all in pfftwrap gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfftwrap' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfftwrap' Compiling nwfft3d.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfftwrap' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfftwrap' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpfft.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpfft.a nwfft3d.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpfft.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libpfft.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfftwrap' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft/pfftwrap' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fft' Making libraries in python gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/python' Compiling python_input.F... Compiling task_python.c... Compiling nwchem_wrap.c... Compiling nw_inp_from_string.c... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/python' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpython.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpython.a python_input.o task_python.o nwchem_wrap.o nw_inp_from_string.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpython.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpython.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwpython.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/python' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/python' Making libraries in analyz gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/analyz' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/analyz' Compiling ana_angle.F... Compiling ana_atrad.F... Compiling ana_bond.F... Compiling ana_chgdst.F... Compiling ana_data.F... Compiling ana_define.F... ana_define.F:90:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 90 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ana_define.F:160:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 160 | call ga_brdcst(mag_d06,ldef,ndef*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling ana_diel.F... Compiling ana_esppt.F... Compiling ana_finish.F... Compiling ana_groups.F... ana_groups.F:432:72: 432 | xa(2)=xa(2)+x(ia,2) | ^ Warning: 'xa[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[1]' was declared here ana_groups.F:431:72: 431 | xa(1)=xa(1)+x(ia,1) | ^ Warning: 'xa[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[0]' was declared here ana_groups.F:433:72: 433 | xa(3)=xa(3)+x(ia,3) | ^ Warning: 'xa[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:18: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xa[2]' was declared here ana_groups.F:442:72: 442 | xb(1)=xb(1)+x(ia,1) | ^ Warning: 'xb[0]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[0]' was declared here ana_groups.F:444:72: 444 | xb(3)=xb(3)+x(ia,3) | ^ Warning: 'xb[2]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[2]' was declared here ana_groups.F:443:72: 443 | xb(2)=xb(2)+x(ia,2) | ^ Warning: 'xb[1]' may be used uninitialized [-Wmaybe-uninitialized] ana_groups.F:424:24: 424 | real*8 xa(3),xb(3),xc(3) | ^ note: 'xb[1]' was declared here Compiling ana_hbond.F... Compiling ana_index.F... Compiling ana_init.F... Compiling ana_inirms.F... Compiling ana_initx.F... Compiling ana_input.F... Compiling ana_pltgrd.F... ana_pltgrd.F:159:29: 157 | call ga_brdcst(mag_d01,x,3*nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 2 158 | call ga_brdcst(mag_d02,xmin,3*ma_sizeof(mt_dbl,1,mt_byte),0) 159 | call ga_brdcst(mag_d03,ngrd,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling ana_rama.F... Compiling ana_rdhdr.F... Compiling ana_rdf.F... Compiling ana_rdfram.F... ana_rdfram.F:194:29: 193 | call ga_brdcst(mag_d03,succes,ma_sizeof(mt_log,1,mt_byte),0) | 2 194 | call ga_brdcst(mag_d04,ix,msa*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ana_rdref.F... Compiling ana_rdtop.F... ana_rdtop.F:165:29: 163 | call ga_brdcst(mag_d02,ltop,ma_sizeof(mt_log,1,mt_byte),0) | 2 164 | if(ltop) then 165 | call ga_brdcst(mag_d01,qs,nsa*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling ana_report.F... ana_report.F:135:58: 135 | + ndxj(j,3),jtxt(j),tim(j),100.0d0*tim(j)/(timf-timi) | ^ Warning: 'timf' may be used uninitialized [-Wmaybe-uninitialized] ana_report.F:71:40: 71 | real*8 ctime,ptime,dtime,timi,timf | ^ note: 'timf' was declared here Compiling ana_rmsdev.F... Compiling ana_rtdbin.F... Compiling ana_select.F... Compiling ana_sizref.F... Compiling ana_tag.F... ana_tag.F:124:29: 123 | call ga_brdcst(mag_d06,byte_mb(i_tag),48*nsa,0) | 2 124 | call ga_brdcst(mag_d06,dbl_mb(i_tag),16*nsa,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/CHARACTER(*)). Compiling ana_task.F... ana_task.F:1004:72: 1004 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1234:72: 1234 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) ana_task.F:1303:72: 1303 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling ana_torsion.F... Compiling ana_wtfram.F... Compiling ana_wthdr.F... Compiling ana_wrtpdb.F... Compiling ana_wrtxyz.F... Compiling ana_xaver.F... Compiling ana_covar.F... Compiling analyz.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/analyz' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/analyz' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libanalyze.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libanalyze.a ana_angle.o ana_atrad.o ana_bond.o ana_chgdst.o ana_data.o ana_define.o ana_diel.o ana_esppt.o ana_finish.o ana_groups.o ana_hbond.o ana_index.o ana_init.o ana_inirms.o ana_initx.o ana_input.o ana_pltgrd.o ana_rama.o ana_rdhdr.o ana_rdf.o ana_rdfram.o ana_rdref.o ana_rdtop.o ana_report.o ana_rmsdev.o ana_rtdbin.o ana_select.o ana_sizref.o ana_tag.o ana_task.o ana_torsion.o ana_wtfram.o ana_wthdr.o ana_wrtpdb.o ana_wrtxyz.o ana_xaver.o ana_covar.o analyz.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libanalyze.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libanalyze.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libanalyze.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/analyz' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/analyz' Making libraries in nwmd gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwmd' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwmd' Compiling nwmd.F... Compiling md_start.F... md_start.F:1986:7: 1717 | call md_abort('Unable to read restart file in md_rest ',me) | 2 ...... 1986 | + ' of number of processors',ga_nodeid()) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(24)/INTEGER(8)). md_start.F:1986:72: 1986 | + ' of number of processors',ga_nodeid()) | 1 Warning: More actual than formal arguments in procedure call at (1) md_start.F:954:52: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 954 | if(.not.rtdb_get(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_start.F:986:50: 755 | if(.not.rtdb_get(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 986 | if(.not.rtdb_get(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_start.F:1323:44: 1323 | if(nserie.gt.0) call md_rdrest(lfnrst,filrst) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_start.F:1330:17-30: 1330 | nbytes=loc(inp_ptr)-loc(ptol) | 2 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_start.F:1333:29: 1331 | call ga_brdcst(mrg_d36,ptol,nbytes,0) | 2 1332 | nbytes=7*ma_sizeof(mt_int,1,mt_byte) 1333 | call ga_brdcst(mrg_d37,npx,nbytes,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_start.F:319:72: 319 | root=filnam(1:ibl)//gid | ^ Warning: 'ibl' may be used uninitialized [-Wmaybe-uninitialized] md_start.F:12:21: 12 | integer iun,ibl | ^ note: 'ibl' was declared here Compiling md_input.F... md_input.F:1849:52: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1849 | if(.not.rtdb_put(irtdb,'md:idscb',mt_int,nscb,idscb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) md_input.F:1881:50: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1881 | if(.not.rtdb_put(irtdb,'md:facpmf',mt_dbl,1,facpmf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). md_input.F:1889:54: 1650 | if(.not.rtdb_put(irtdb,'md:port',mt_int,1,iport)) | 2 ...... 1889 | if(.not.rtdb_put(irtdb,'md:itime',mt_int,mtimes,itime)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling md_main.F... md_main.F:1608:57: 1608 | if(frequency(mdstep,nfrest)) call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:1310:28: 1310 | call md_wrtrst(lfnrst,rfile,.true.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:2076:27: 2076 | call ga_dgop(mrg_d45,dmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:854:27: 854 | call ga_dgop(mrg_d08,fnorm1,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:898:27: 898 | call ga_dgop(mrg_d09,ypa,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:899:27: 899 | call ga_dgop(mrg_d10,pnorm,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1002:27: 1002 | call ga_dgop(mrg_d11,ypb,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1070:27: 1070 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1126:27: 1126 | call ga_dgop(mrg_d12,dxmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1160:27: 1160 | call ga_dgop(mrg_d13,fnorm2,1,'+') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) md_main.F:1203:28: 1203 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:647:28: 647 | call md_wrtrst(lfnqrs,filqrs,.false.) | 1 Warning: Character length of actual argument shorter than of dummy argument 'fil' (70/255) at (1) md_main.F:3071:39: 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 ...... 3071 | if(np.gt.1) call ga_dgop(mrg_d49,mm,msm,'+') | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). md_main.F:2699:39: 2699 | if(np.gt.1) call ga_dgop(mrg_d06,pmax,1,'max') | 1 ...... 2874 | call ga_dgop(mrg_d04,tim,56*np,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling md_finish.F... Compiling prp_init.F... Compiling prp_main.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwmd' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwmd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwmd.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwmd.a nwmd.o md_start.o md_input.o md_main.o md_finish.o prp_init.o prp_main.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwmd.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwmd.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libnwmd.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwmd' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/nwmd' Making libraries in cafe gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cafe' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cafe' Compiling cf_d.F... Compiling cf_fp.F... cf_f.fh:1984:72: 1984 | qsa2(i)=chg(isq2(i),1,lseq(isgm(i))) | ^ Warning: 'MEM[(integer(kind=8)[0:D.9136] *)_2236][_34]' may be used uninitialized [-Wmaybe-uninitialized] Compiling cf_f.F... cf_f.fh:4662:9: 4662 | if(isrx.eq.999) then | ^ Warning: 'isrx' may be used uninitialized [-Wmaybe-uninitialized] cf_f.fh:4551:57: 4551 | integer i,j,ist,isa,jsa,isf,jsf,isad,istt,jstt,isrx | ^ note: 'isrx' was declared here Compiling cf_finish.F... Compiling cf_forces.F... Compiling cf_forcep.F... Compiling cf_hopping.F... Compiling cf_induce.F... Compiling cf_init.F... cf_init.F:520:28: 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 519 | call ga_brdcst(mcf_61,jpmf,4*numpmf*npmfa*lenint,0) 520 | call ga_brdcst(mcf_62,rpmf,18*numpmf*lendbl,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_init.F:267:28: 267 | call ga_brdcst(mcf_55,ndrs,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:335:28: 335 | call ga_brdcst(mcf_75,nbias,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_init.F:2133:72: 2133 | rlam(1)=one-rlam(1) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here cf_init.F:2135:72: 2135 | rlam(3)=one-rlam(3) | ^ Warning: 'rlam' may be used uninitialized [-Wmaybe-uninitialized] cf_init.F:2109:28: 2109 | real*8 tlam(3),rlam(3),slam(3) | ^ note: 'rlam' declared here Compiling cf_list.F... Compiling cf_main.F... cf_main.F:3457:29: 2990 | call ga_brdcst(mrg_d47,itarget,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 3457 | call ga_brdcst(mrg_d47,fact,3*ma_sizeof(mt_int,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2066:58: 1714 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2066 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2067:21: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2067:51: 1715 | + xpmf(1,1,i),ft,et,.false.,.false.,.false.,me.eq.0, | 2 ...... 2067 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:2068:7: 1716 | + dbl_mb(i_sti),lseq) | 2 ...... 2068 | + int_mb(i_lseq)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). cf_main.F:2075:7: 1754 | call cf_fsh(1,it,1,3,ip,rpmf(1,1,i),rv,3,4, | 2 ...... 2075 | + dbl_mb(i_rub(2)), | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2076:12: 1755 | + ign,isgm,iml,idt,ich,chg, | 2 ...... 2076 | + nmul,mmult,imul(1,1),imul(1,2),imul(1,3),imul(1,4),dbl_mb(i_chg), | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:2085:7: 1796 | call cf_fsd(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2085:21: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2085:51: 1797 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2085 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:2093:7: 1802 | call cf_fso(1,it,1,3,ip,rpmf(1,1,i),rv,4,4,ign,isgm,iml,idt, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_main.F:2093:21: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). cf_main.F:2093:51: 1803 | + xpmf(1,1,i),ft,et,.true.,.true.,.false.,me.eq.0, | 2 ...... 2093 | + xmul,fmul,ess,.true.,.true.,me.eq.0,me.eq.0,dbl_mb(i_sti)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). cf_main.F:1395:26: 1395 | call ga_dgop(mcf_44,fnorm,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1396:26: 1396 | call ga_dgop(mcf_45,fmax,1,'max') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:128:26: 128 | call ga_dgop(mcf_34,wbox,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) cf_main.F:1005:26: 1005 | call ga_dgop(mcf_40,ewk,1,'+') | 1 ...... 3992 | call ga_dgop(mcf_68,dera,5*nsatot,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_pairs.F... Compiling cf_pbc.F... Compiling cf_rdgeom.F... cf_rdgeom.F:162:28: 131 | call ga_brdcst(mcf_01,idata,16*numbi,0) | 2 ...... 162 | call ga_brdcst(mcf_03,dbl_mb(i_mas),6*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling cf_shake.F... Compiling cf_grid.F... Compiling cf_rdtop.F... cf_rdtop.F:356:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 356 | call ga_brdcst(mcf_03,dbl_mb(i_mas),mset*mat*numbd,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). cf_rdtop.F:472:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) | 2 ...... 472 | call ga_brdcst(mcf_69,iffld,numbi,0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling cf_uhop.F... Compiling pme_init.F... Compiling pme_fft.F... Compiling pme_grid.F... pme_grid.F:522:49: 361 | + jlsl+maxy-1,grid(minx,miny,k),mgrx) | 2 ...... 522 | call ga_get(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:488:49: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:488:57: 200 | + jlsl+maxy-1,grid(minx,miny,k),mgrx,one) | 2 ...... 488 | call ga_acc(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). pme_grid.F:329:7: 329 | + grid(1,1),mgrx) | 1 ...... 486 | call ga_put(ga_flg,il,ih,jl+iflag,jl+iflag,icolr,1) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cafe' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cafe' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcafe.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcafe.a cf_d.o cf_fp.o cf_f.o cf_finish.o cf_forces.o cf_forcep.o cf_hopping.o cf_induce.o cf_init.o cf_list.o cf_main.o cf_pairs.o cf_pbc.o cf_rdgeom.o cf_shake.o cf_grid.o cf_rdtop.o cf_uhop.o pme_init.o pme_fft.o pme_grid.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcafe.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcafe.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libcafe.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cafe' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cafe' Making libraries in space gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/space' Compiling sp_init.F... sp_init.F:4070:54: 4057 | call ga_put(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4070 | call ga_put(ga_w,ilw,ilw+nwmn-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:4092:28: 4091 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 4092 | call ga_brdcst(msp_13,rtemp,12*ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:4119:56: 4107 | call ga_get(ga_ip,ilp,ihp,jlp,jhp,ipl,mbox) | 2 ...... 4119 | call ga_get(ga_w,ilw,ilw+nwmloc-1,jlw,jlw+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_init.F:1199:28: 1199 | call ga_brdcst(msp_28,ndums,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4091 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:3037:28: 3037 | call ga_brdcst(msp_10,npp,nbytes,0) | 1 ...... 4091 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2091:26: 2091 | call ga_igop(msp_29,nrempr,1,'max') | 1 ...... 2948 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1714:38: 1714 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2948 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:1871:38: 1871 | if(np.gt.1) call ga_igop(msp_20,mbbl,1,'max') | 1 ...... 2948 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:455:38: 455 | if(np.gt.1) call ga_igop(msp_07,mbox,1,'max') | 1 ...... 2948 | call ga_igop(msp_09,ltemp,mdim*mbb2,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:126:28: 126 | call ga_brdcst(msp_02,nsm,ma_sizeof(mt_int,1,mt_byte),0) | 1 ...... 4091 | call ga_brdcst(msp_12,ltemp,3*ma_sizeof(mt_int,1,mt_byte),0) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) sp_init.F:2240:35: 2221 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2240 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_init.F:2240:43: 2221 | call ga_acc(ga_w,il,ih,jl+6*mwa+3,jl+9*mwa+2,fw,mwm,one) | 2 ...... 2240 | call ga_acc(ga_iwz,il,ih,1,1,iwz,mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling sp_main.F... sp_main.F:3870:15: 3726 | call ga_brdcst(msp_16,nen(1,1),np*intsiz,0) | 2 ...... 3870 | + (msp_19,boxsiz,ma_sizeof(mt_dbl,3*maxbox,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:3397:7: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3397:23: 3391 | + fw(indexw,1,1,1),mwm,one,handle_fw) | 2 ...... 3397 | + iwz(indexw),mwm,1,handle_iw) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3254:51: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:3254:69: 3249 | + fw(nwmloc+1,1,1,1),mwm,one) | 2 ...... 3254 | call ga_acc(ga_iwz,il+jwfr-1,il+jwto-1,jl,jl,iwz(nwmloc+1),mwm,1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). sp_main.F:2895:7: 2880 | + isga(ndxda+1),msa) | 2 ...... 2895 | + xs(ndxda+1,1),msa) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:2187:7: 2180 | + iwl(indexw,1),mwm,handle_iw) | 2 ...... 2187 | + xw(indexw,1,1),mwm,handle_w) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:706:43: 694 | call ga_put(ga_ip,il,ih,jl,jh,ipl,mbox) | 2 ...... 706 | call ga_put(ga_w,il,ih,jl,jl+3*mwa-1,xw,mwm) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). sp_main.F:1986:26: 1986 | call ga_igop(msp_23,nfold,1,'+') | 1 ...... 3585 | call ga_igop(msp_14,nlst,2*npp,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/space' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libspace.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libspace.a sp_init.o sp_main.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libspace.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libspace.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libspace.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/space' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/space' Making libraries in drdy gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/drdy' Compiling atsym.F... Compiling drdy.F... Compiling drdy_input.F... drdy_input.F:113:55: 110 | if (.not. rtdb_put(rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 113 | if (.not. rtdb_put(rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling Input_for_drdy.F... Compiling drdy_synch.F... Compiling read_drdy_rtdb.F... Compiling rgener.F... Compiling ratoms.F... Compiling rstat.F... Compiling rpath.F... Compiling rgeom.F... Compiling rgsad.F... Compiling rphwrt.F... Compiling drdy_sort.F... Compiling react.F... Compiling potset_nwchem.F... Compiling trans.F... Compiling tranf.F... Compiling drdy_center.F... Compiling rotx.F... Compiling moiten.F... Compiling pot2.F... Compiling rotmat.F... Compiling rotg.F... Compiling rotf.F... Compiling restor.F... Compiling drdy_nwc_get.F... drdy_nwc_get.F:24:55: 16 | if (.not.rtdb_get(rtdb,'task:status', mt_log, 1, task_status)) | 2 ...... 24 | if (.not.rtdb_get(rtdb,'task:energy', mt_dbl, 1, energy)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling react2.F... Compiling saddle.F... Compiling setpth.F... Compiling diagf.F... Compiling pmlqsp.F... Compiling mxlneq.F... Compiling pmclqa.F... Compiling path.F... Compiling path2.F... Compiling pot1.F... Compiling euler.F... Compiling pmlqa.F... Compiling dsdt.F... Compiling rsp.F... Compiling pmcube.F... Compiling fdiag.F... Compiling potsp.F... Compiling projct.F... Compiling pythag.F... Compiling getstr.F... Compiling io.F... Compiling sumout.F... Compiling wfiles.F... Compiling nwc_gen.F... nwc_gen.F:78:59: 74 | if (.not. rtdb_get(my_rtdb,'drdy:autosym',mt_log,1,oautosym)) | 2 ...... 78 | if (.not.rtdb_get(my_rtdb,'drdy:threquiv',mt_dbl,1,threquiv)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). nwc_gen.F:89:24: 83 | call ycopy(n3,x,1,dx,1) ! temporary use of dx | 2 ...... 89 | call ycopy(3*n3,0.d0,0,velocities,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/drdy' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdrdy.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdrdy.a atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o read_drdy_rtdb.o rgener.o ratoms.o rstat.o rpath.o rgeom.o rgsad.o rphwrt.o drdy_sort.o react.o potset_nwchem.o trans.o tranf.o drdy_center.o rotx.o moiten.o pot2.o rotmat.o rotg.o rotf.o restor.o drdy_nwc_get.o react2.o saddle.o setpth.o diagf.o pmlqsp.o mxlneq.o pmclqa.o path.o path2.o pot1.o euler.o pmlqa.o dsdt.o rsp.o pmcube.o fdiag.o potsp.o projct.o pythag.o getstr.o io.o sumout.o wfiles.o nwc_gen.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdrdy.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdrdy.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdrdy.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/drdy' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/drdy' Making libraries in vscf gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/vscf' Compiling vscf_input.F... vscf_input.F:75:55: 43 | if (.not. rtdb_put(rtdb,'vscf:ngrid',mt_int,1,ngrid)) | 2 ...... 75 | if (.not. rtdb_put(rtdb,'vscf:vcfct',mt_dbl,1,vcfct)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling vscf.F... vscf.F:600:55: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 600 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:697:60: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 697 | if (.not.rtdb_get(rtdb,'prop:dipval',mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:793:30: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 793 | & mt_dbl,3,dmtemp)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vscf.F:2670:54: 569 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,e)) | 2 ...... 2670 | if (.not. rtdb_get(rtdb,'vscf:restart',mt_log,1,restart)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). vscf.F:2165:29: 2165 | CALL ga_brdcst(msg_ns3,nstart,7*ma_sizeof(mt_int,1,mt_byte), | 1 ...... 2647 | CALL ga_brdcst(msg_diagv,diag_exists, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). vscf.F:186:56: 186 | if (.not. rtdb_put(rtdb,'vscf:restart',mt_log,1,restart)) | 1 ...... 594 | if (.not.rtdb_put(rtdb,'prop:dipole',mt_int,1,0)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/vscf' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libvscf.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libvscf.a vscf_input.o vscf.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libvscf.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libvscf.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libvscf.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/vscf' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/vscf' Making libraries in qmmm gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qmmm' Compiling qmmm.F... Compiling task_qmmm_gradient.F... task_qmmm_gradient.F:283:50: 126 | $ numerical)) numerical = .false. | 2 ...... 283 | if(.not.rtdb_get(irtdb,"neb:ibead",mt_int,1,ibead)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_gradient.F:817:25: 198 | if (.not. rtdb_put(rtdb,'qmmm:bq_nuc_energy',mt_dbl,1,ebq)) | 2 ...... 817 | > mt_int,nact,int_mb(i_cons))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_gradient.F:389:20: 189 | call dfill(3*nfg,0,dbl_mb(i_g),1) | 2 ...... 389 | call dfill(na,0.0d0,dbl_mb(i_q),1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling mm_interface.F... mm_interface.F:2716:35: 2716 | call ga_dgop(msg_qmmm_forcew,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:2717:32: 2717 | call ga_dgop(msg_qmmm_nqm,ntot,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). mm_interface.F:3306:34: 3306 | call ga_dgop(msg_qmmm_force,grms,1,'+') | 1 ...... 3361 | call ga_dgop(msg_qmmm_force,g,3*nt,'+') | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mm_interface.F:3967:11: 441 | call ga_brdcst(msg_qmmm_misc,mm_read_frame, | 2 ...... 3967 | > ns, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mm_interface.F:2873:72: 2873 | j1=(j-1)*mwa+m | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] mm_interface.F:2852:17: 2852 | integer i,j,k,m,j1,ioff | ^ note: 'j' was declared here Compiling qmmm_link.F... Compiling qmmm_data.F... qmmm_data.F:111:72: 111 | + call errquit(pname//'failed to get bqzone from mm',0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) qmmm_data.F:126:43: 33 | if(.not.rtdb_get(irtdb,'charge',mt_dbl,1,qcharge)) then | 2 ...... 126 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_data.F:127:45: 95 | if (.not.rtdb_put(irtdb,"qmmm:uqmatm",mt_dbl,1,eatoms)) | 2 ...... 127 | if (.not.rtdb_put(irtdb,tag,mt_int,1,bq_exclude)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmmm_lbfgsb.F... qmmm_lbfgsb.F:112:56: 103 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) | 2 ...... 112 | if (.not. rtdb_get(irtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmmm_lbfgsb.F:322:72: 322 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_6' at (1) Compiling qmmm_utils.F... qmmm_utils.F:105:72: 105 | do i=1,im | ^ Warning: 'im' may be used uninitialized [-Wmaybe-uninitialized] qmmm_utils.F:101:16: 101 | integer im | ^ note: 'im' was declared here Compiling task_qmmm_energy.F... task_qmmm_energy.F:1051:32: 1024 | if (.not. rtdb_get(rtdb, 'qmmm:active_region', mt_log,1,oregion)) | 2 ...... 1051 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_energy.F:604:54: 604 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 1 ...... 1099 | if (.not. rtdb_put(rtdb,'qmmm:energy',mt_dbl,1,energy/cau2kj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmmm_main.F... qmmm_main.F:72:54: 42 | if (.not. rtdb_get(inrtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 72 | if (.not.rtdb_get(inrtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmmm_check_forces.F... qmmm_check_forces.F:100:56: 47 | > mt_int,1,nregion)) | 2 ...... 100 | if (.not. rtdb_get(rtdb,'md:energy', mt_dbl, 1, e0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmmm_bq.F... qmmm_bq.F:66:34: 42 | > mt_dbl,3*n,c)) | 2 ...... 66 | > mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmmm_esp.F... qmmm_esp.F:182:36: 90 | if(.not.rtdb_put(rtdb,'esp:newgrd',mt_int,1,1)) | 2 ...... 182 | > mt_dbl,nqm,dbl_mb(i_q_qm))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). qmmm_esp.F:605:34: 69 | if(.not.rtdb_get(rtdb,'qmmm:readesp',mt_log,1,readesp)) | 2 ...... 605 | > mt_dbl,n,dbl_mb(i_epot))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmmm_cons.F... qmmm_cons.F:230:28: 89 | if (.not. rtdb_get(irtdb,'qmmm:fixsolvent',mt_log,1,fixw)) | 2 ...... 230 | + mt_int,nr,int_mb(i_ires))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling qmmm_geom.F... qmmm_geom.F:703:28: 703 | > 0, | 1 Warning: Rank mismatch in argument 'aiw' at (1) (rank-1 and scalar) qmmm_geom.F:82:34: 82 | > mt_int,1,nregion)) | 1 ...... 695 | > mt_log,1,update)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_geom.F:268:39: 268 | call ga_brdcst(msg_qmmm_misc, ofile, | 1 ...... 483 | > byte_mb(i_t), | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/CHARACTER(*)). qmmm_geom.F:1052:27: 243 | if(.not.rtdb_put(irtdb,'neb:custom_path',mt_log,1,custom_path)) | 2 ...... 1052 | + 3*n,dbl_mb(i_gt))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). qmmm_geom.F:1085:72: 1085 | + call errquit('qmmm: Failed to print geometry',0) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) Compiling qmmm_bq_data.F... qmmm_bq_data.F:66:26: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 ...... 198 | + call errquit(pname//'Failed bq_pset',0,CALC_ERR) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(32)/INTEGER(8)). qmmm_bq_data.F:66:72: 66 | call errquit(pname,"unknown option for charge expand",0,0) | 1 Warning: More actual than formal arguments in procedure call at (1) qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ | 1 Warning: Padding of 2 bytes required before 'bq_exclude' in COMMON 'qmmm_bq_data' at (1); reorder elements or use '-fno-align-commons' [-Walign-commons] Compiling task_qmmm_optimize.F... task_qmmm_optimize.F:173:32: 166 | > mt_dbl,1,etol)) | 2 ...... 173 | > mt_int,1,nregion)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_optimize.F:687:28: 166 | > mt_dbl,1,etol)) | 2 ...... 687 | + 2,rb)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_optimize.F:608:58: 608 | if (.not. rtdb_put(rtdb,'driver:nptopt',mt_int,1,maxiter)) | 1 ...... 767 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling task_qmmm_dynamics.F... task_qmmm_dynamics.F:110:28: 102 | > mt_int,1,nregion)) | 2 ...... 110 | $ 1, oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). task_qmmm_dynamics.F:44:57: 44 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) | 1 ...... 265 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmmm_output.F... qmmm_output.F:70:43: 70 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then | 1 ...... 147 | if (.not.rtdb_get(irtdb,'qmmm:uqmatm',mt_dbl,1,eatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling mm_utils.F... Compiling qmmm_input.F... qmmm_input.F:550:44: 550 | if (.not.rtdb_put(rtdb,tag,mt_int,1,itok)) | 1 ...... 808 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). qmmm_input.F:627:28: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 ...... 831 | 998 call errquit(pname//'no token found '//token,0, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(7)/INTEGER(8)). qmmm_input.F:627:72: 627 | > call errquit(pname," spring",0,INPUT_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) Compiling qmmm_pes.F... qmmm_pes.F:112:28: 104 | + 1,ncycles)) | 2 ...... 112 | + 2,rb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmmm_property.F... Compiling task_qmmm_fep.F... task_qmmm_fep.F:1000:58: 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 ...... 1000 | if (.not.rtdb_get(rtdb,"qmmm:trajectory_n",mt_int,3,trn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). task_qmmm_fep.F:326:56: 326 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_fep.F:60:32: 60 | > mt_int,1,nregion)) | 1 ...... 1039 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_qmmm_fep.F:147:56: 147 | if (.not.rtdb_get(rtdb,'qmmm:fep_lambda',mt_dbl,2,lambda)) then | 1 ...... 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) task_qmmm_fep.F:828:72: 828 | tsum = taver*ns | ^ Warning: 'taver' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:791:28: 791 | double precision taver | ^ note: 'taver' was declared here task_qmmm_fep.F:903:72: 903 | de(n) = -kb_au*tav*log(fsum(n)/(in+nf0)) | ^ Warning: 'nf0' may be used uninitialized [-Wmaybe-uninitialized] task_qmmm_fep.F:786:23: 786 | integer in,nf,nf0 | ^ note: 'nf0' was declared here Compiling task_qmmm_abc.F... task_qmmm_abc.F:355:34: 250 | > mt_dbl,1,eref)) then | 2 ...... 355 | $ mt_log,1,oesp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_abc.F:369:62: 268 | > mt_dbl,1,eref)) | 2 ...... 369 | if (.not. rtdb_put(rtdb, 'qmmm:active_region', mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). task_qmmm_abc.F:119:11: 119 | > fn, | 1 ...... 295 | call ga_brdcst(msg_qmmm_misc,ostatus, | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qmmm' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqmmm.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqmmm.a qmmm.o task_qmmm_gradient.o mm_interface.o qmmm_link.o qmmm_data.o qmmm_lbfgsb.o qmmm_utils.o task_qmmm_energy.o qmmm_main.o qmmm_check_forces.o qmmm_bq.o qmmm_esp.o qmmm_cons.o qmmm_geom.o qmmm_bq_data.o task_qmmm_optimize.o task_qmmm_dynamics.o qmmm_output.o mm_utils.o qmmm_input.o qmmm_pes.o qmmm_property.o task_qmmm_fep.o task_qmmm_abc.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqmmm.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqmmm.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqmmm.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qmmm' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qmmm' Making libraries in qmd gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qmd' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qmd' Compiling qmd_init.F... qmd_init.F:86:55: 78 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) | 2 ...... 86 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling qmd_driver.F... qmd_driver.F:135:55: 132 | if(.not.rtdb_get(rtdb,'qmd:cavity',mt_log,1,do_cavity)) | 2 ...... 135 | if(.not.rtdb_get(rtdb,'qmd:cavity_axis',mt_dbl,3,cavity_axis)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling qmd_main.F... qmd_main.F:109:52: 107 | if(.not.rtdb_get(irtdb,'task:gradient',mt_dbl,3*msa,buf)) | 2 108 | + call errquit('qmd_f: rtdb_get gradient failed',0, RTDB_ERR) 109 | if(.not.rtdb_get(irtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling qmd_input.F... qmd_input.F:67:55: 62 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) | 2 ...... 67 | if (.not.rtdb_put(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). qmd_input.F:406:52: 400 | if (.not.rtdb_get(rtdb,'qmd:nstep_nucl',mt_int,1,nstep_nucl)) then | 2 ...... 406 | if (.not.rtdb_get(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_start.F... Compiling task_qmd.F... Compiling qmd_nucl_dt2.F... Compiling qmd_nucl_dt.F... Compiling qmd_gradient.F... qmd_gradient.F:43:51: 41 | if(.not.rtdb_get(rtdb,'task:gradient',mt_dbl,3*nat,g)) | 2 42 | & call errquit(pname//'rtdb_get gradient',0,RTDB_ERR) 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,energy)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling qmd_geom_store.F... Compiling qmd_thermostat.F... Compiling qmd_kinetic.F... Compiling qmd_write_trj.F... Compiling qmd_write_rst.F... Compiling qmd_ran1.F... Compiling qmd_gasdev.F... Compiling qmd_randomize.F... Compiling qmd_nucl_pos.F... Compiling qmd_nucl_vel.F... Compiling qmd_read_rst.F... Compiling qmd_gamdev.F... Compiling qmd_sumno.F... Compiling qmd_fix_momentum.F... Compiling qmd_freeze_inactive.F... Compiling qmd_cavity.F... Compiling qmd_energy.F... Compiling qmd_coup.F... Compiling qmd_move_civecs.F... Compiling qmd_elec_prop.F... Compiling qmd_tdks_enmo.F... qmd_tdks_enmo.F:302:49: 294 | if(.not. rtdb_put(rtdb,'dft:swap alpha',mt_int,2,swap)) | 2 ...... 302 | if(.not.rtdb_put(rtdb,'dft:noscf',mt_log,1,.true.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). qmd_tdks_enmo.F:43:51: 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,en(1))) | 1 ...... 129 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_tddft_enmo.F... qmd_tddft_enmo.F:70:50: 70 | if(.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,en(1))) | 1 ...... 147 | if (.not.rtdb_get(rtdb,'dft:noc',mt_int,2,nocc_verify)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmd_namd_init.F... qmd_namd_init.F:72:49: 68 | if (.not.rtdb_get(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 72 | if (.not.rtdb_get(rtdb,'qmd:deco',mt_log,1,deco)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling qmd_namd_input.F... qmd_namd_input.F:46:52: 41 | if (.not.rtdb_put(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) | 2 ...... 46 | if (.not.rtdb_put(rtdb,'qmd:nstates',mt_int,1,nstates)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling qmd_set_den.F... Compiling qmd_coords_vels.F... Compiling qmd_civecs_read.F... Compiling qmd_property.F... Compiling qmd_ext.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qmd' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qmd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqmd.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqmd.a qmd_init.o qmd_driver.o qmd_main.o qmd_input.o qmd_start.o task_qmd.o qmd_nucl_dt2.o qmd_nucl_dt.o qmd_gradient.o qmd_geom_store.o qmd_thermostat.o qmd_kinetic.o qmd_write_trj.o qmd_write_rst.o qmd_ran1.o qmd_gasdev.o qmd_randomize.o qmd_nucl_pos.o qmd_nucl_vel.o qmd_read_rst.o qmd_gamdev.o qmd_sumno.o qmd_fix_momentum.o qmd_freeze_inactive.o qmd_cavity.o qmd_energy.o qmd_coup.o qmd_move_civecs.o qmd_elec_prop.o qmd_tdks_enmo.o qmd_tddft_enmo.o qmd_namd_init.o qmd_namd_input.o qmd_set_den.o qmd_coords_vels.o qmd_civecs_read.o qmd_property.o qmd_ext.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqmd.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqmd.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libqmd.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qmd' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/qmd' Making libraries in etrans gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/etrans' Compiling et_calc.F... et_calc.F:632:53: 620 | if (.not. rtdb_get(rtdb, 'et:tol2e', MT_DBL, 1, tol2e)) then | 2 ...... 632 | if (.not.rtdb_get(rtdb,'et:method_2e',MT_INT,1,method_2e)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling et_calc_fmo.F... Compiling et_fmo_util.F... Compiling et_input.F... et_input.F:51:60: 41 | if (.not. rtdb_put(rtdb,'et:tol2e', MT_DBL, 1, tol2e)) | 2 ...... 51 | if (.not. rtdb_put(rtdb,'et:method_2e', MT_INT, 1, method_2e)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling et_det.F... Compiling et_2e.F... Compiling et_movecs_read.F... et_movecs_read.F:106:43: 102 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status | 2 ...... 106 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob_nbf, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling et_vectors_inp.F... Compiling et_fock.F... Compiling et_dens_prod.F... Compiling et_omega2_mult.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/etrans' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libetrans.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libetrans.a et_calc.o et_calc_fmo.o et_fmo_util.o et_input.o et_det.o et_2e.o et_movecs_read.o et_vectors_inp.o et_fock.o et_dens_prod.o et_omega2_mult.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libetrans.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libetrans.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libetrans.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/etrans' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/etrans' Making libraries in tce gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce' Parse error: invalid expression :1 Compiling tce_input.F... tce_input.F:149:54: 149 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 1 ...... 1807 | if (.not.rtdb_put(rtdb,'tce:lineresp',mt_log,1,lineresp)) then | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling tce_init.F... tce_init.F:142:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 142 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init.F:284:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 284 | if (.not.rtdb_put(rtdb,'tce:zlshift2',mt_dbl,2,zlshift2)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:290:55: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 290 | if (.not.rtdb_put(rtdb,'tce:zlshift3',mt_dbl,2,zlshift3)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:315:54: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 315 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_init.F:500:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 500 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:512:59: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 512 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:527:53: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 527 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:583:33: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 583 | & mt_log,4,restart_ignore_failure)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:593:15: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 593 | 1 save_integrals)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:604:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 604 | if (.not.rtdb_get(rtdb,'tce:save_t',mt_log,4,save_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:611:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 611 | if (.not.rtdb_get(rtdb,'tce:save_l',mt_log,4,save_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:618:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 618 | if (.not.rtdb_get(rtdb,'tce:save_tr',mt_log,8,save_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:626:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 626 | if (.not.rtdb_get(rtdb,'tce:save_lr',mt_log,8,save_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:633:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 633 | if (.not.rtdb_get(rtdb,'tce:save_x',mt_log,4,save_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:641:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 641 | if (.not.rtdb_get(rtdb,'tce:save_y',mt_log,4,save_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:677:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 677 | if (.not.rtdb_get(rtdb,'tce:read_t',mt_log,4,read_t)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:684:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 684 | if (.not.rtdb_get(rtdb,'tce:read_l',mt_log,4,read_l)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:691:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 691 | if (.not.rtdb_get(rtdb,'tce:read_tr',mt_log,8,read_tr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:699:52: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 699 | if (.not.rtdb_get(rtdb,'tce:read_lr',mt_log,8,read_lr)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:707:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 707 | if (.not.rtdb_get(rtdb,'tce:read_x',mt_log,4,read_x)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:715:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 715 | if (.not.rtdb_get(rtdb,'tce:read_y',mt_log,4,read_y)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init.F:890:57: 263 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 890 | if (.not.rtdb_put(rtdb,'tce:qrot',mt_dbl,anumrot,arot)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_energy.F... tce_energy.F:605:15: 594 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 605 | 1 read_integrals)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). tce_energy.F:612:17: 596 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 612 | 1 read_integrals)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling tce_energy_fragment.F... tce_energy_fragment.F:70:56: 60 | if (.not.rtdb_get(rtdb,'fragment:dipole',mt_log,1,dipole)) | 2 ...... 70 | if (.not.rtdb_get(rtdb,'fragment:radius',mt_dbl,1,radius)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce' Parse error: invalid expression :1 Compiling tce_tile.F... tce_tile.F:207:50: 175 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 207 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_tile.F:357:72: 357 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile.F:68:23: 68 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_ao1e.F... Compiling tce_mo1e.F... Compiling tce_ao2e.F... Compiling tce_filename.F... Compiling createfile.F... Compiling deletefile.F... deletefile.F:131:12: 131 | if (j.lt.nfiles) then | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] deletefile.F:22:17: 22 | integer i,j | ^ note: 'j' was declared here Compiling reconcilefile.F... Compiling dratoga.F... Compiling gatodra.F... Compiling gatoeaf.F... Compiling get_block.F... get_block.F:64:72: 64 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] get_block.F:21:17: 21 | integer i,j | ^ note: 'j' was declared here Compiling put_block.F... put_block.F:64:72: 64 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] put_block.F:21:17: 21 | integer i,j | ^ note: 'j' was declared here Compiling add_block.F... add_block.F:76:72: 76 | filename = filenames(j) | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] add_block.F:29:17: 29 | integer i,j | ^ note: 'j' was declared here Compiling tce_tidy.F... Compiling sf_test.F... Compiling hbar.F... Compiling tce_mo2e.F... Compiling tce_mo1e_offset.F... Compiling tce_mo2e_offset.F... Compiling tce_e_offset.F... Compiling tce_guess_t1.F... Compiling tce_guess_t2.F... Compiling tce_zero.F... Compiling tce_print_x1.F... Compiling tce_print_x2.F... Compiling tce_residual_t1.F... Compiling tce_residual_t2.F... Compiling tce_residual_t3.F... Compiling tce_residual_t4.F... Compiling ma_pack.F... Compiling sf_print.F... Compiling ma_print_compact.F... Compiling ma_scale.F... Compiling copyfile.F... Compiling ddotfile.F... Compiling daxfile.F... Compiling daxpyfile.F... Compiling dscalfile.F... Compiling tce_aod1.F... Compiling tce_nud1.F... Compiling tce_mod1.F... Compiling tce_mod1_offset.F... Compiling sym_abelian_axis.F... Compiling tce_mod1_new.F... tce_mod1_new.F:173:24: 89 | if (debugprint) call ga_print(g_aod1) | 2 ...... 173 | call ga_print(d_mod1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling tce_mod1_offset_new.F... Compiling tce_eom_init.F... Compiling tce_eom_tidy.F... Compiling tce_eom_xdiagon.F... Compiling tce_eom_ydiagon.F... Compiling tce_t1_offset.F... Compiling tce_t2_offset.F... Compiling tce_t3_offset.F... Compiling tce_t4_offset.F... Compiling tce_x1_offset.F... Compiling tce_x2_offset.F... Compiling tce_x3_offset.F... Compiling tce_x4_offset.F... Compiling tce_y1_offset.F... Compiling tce_y2_offset.F... Compiling tce_y3_offset.F... Compiling tce_y4_offset.F... Compiling tce_mbpt2.F... Compiling tce_restricted.F... Compiling tce_hash.F... Compiling get_hash_block.F... Compiling put_hash_block.F... Compiling add_hash_block.F... Compiling tce_residual_t3a.F... Compiling tce_t3a_offset.F... Compiling tce_x3a_offset.F... Compiling tce_cholesky.F... tce_cholesky.F:58:53: 50 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 58 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_ao2e_cholesky.F... Compiling tce_ao2e_cholesky_2d.F... Compiling tce_ao2e_cholesky_4d.F... Compiling e2_offset_2_offset.F... Compiling get_block_ind.F... get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:18: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:23: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:28: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:61:33: 61 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind.F:219:72: 219 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:33: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind.F:507:72: 507 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind.F:59:42: 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here Compiling get_block_ind_sf.F... get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx1' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:18: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx1' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx2' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:23: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx2' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx3' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:28: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx3' was declared here get_block_ind_sf.F:188:72: 188 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) | ^ Warning: 'inx4' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:47:33: 47 | integer inx1,inx2,inx3,inx4 | ^ note: 'inx4' was declared here get_block_ind_sf.F:207:72: 207 | key_alpha = first_h | ^ Warning: 'first_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:33: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'first_h' was declared here get_block_ind_sf.F:435:72: 435 | key_alpha = second_h | ^ Warning: 'second_h' may be used uninitialized [-Wmaybe-uninitialized] get_block_ind_sf.F:45:42: 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here Compiling tce_hash_ind.F... Compiling tce_mo2e_offset_intorb.F... tce_mo2e_offset_intorb.F:141:72: 141 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a | ^ Warning: 'g1a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:25: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g1a' was declared here tce_mo2e_offset_intorb.F:142:72: 142 | int_mb(k_a_offset+5*(length1+1)+ipos)=g2a !last do loop | ^ Warning: 'g2a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:29: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g2a' was declared here tce_mo2e_offset_intorb.F:139:72: 139 | int_mb(k_a_offset+2*(length1+1)+ipos)=g3a !first do loop | ^ Warning: 'g3a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:17: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g3a' was declared here tce_mo2e_offset_intorb.F:140:72: 140 | int_mb(k_a_offset+3*(length1+1)+ipos)=g4a | ^ Warning: 'g4a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:20:21: 20 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g4a' was declared here tce_mo2e_offset_intorb.F:138:72: 138 | int_mb(k_a_offset+(length1+1)+ipos)=size_last | ^ Warning: 'size_last' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:21:23: 21 | INTEGER size_last | ^ note: 'size_last' was declared here tce_mo2e_offset_intorb.F:597:72: 597 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a | ^ Warning: 'g1a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:25: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g1a' was declared here tce_mo2e_offset_intorb.F:598:72: 598 | int_mb(k_a_offset+5*(length1+1)+ipos)=g2a !last do loop | ^ Warning: 'g2a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:29: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g2a' was declared here tce_mo2e_offset_intorb.F:595:72: 595 | int_mb(k_a_offset+2*(length1+1)+ipos)=g3a !first do loop | ^ Warning: 'g3a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:17: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g3a' was declared here tce_mo2e_offset_intorb.F:596:72: 596 | int_mb(k_a_offset+3*(length1+1)+ipos)=g4a | ^ Warning: 'g4a' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:470:21: 470 | INTEGER g3a,g4a,g1a,g2a | ^ note: 'g4a' was declared here tce_mo2e_offset_intorb.F:594:72: 594 | int_mb(k_a_offset+(length1+1)+ipos)=size_last | ^ Warning: 'size_last' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_offset_intorb.F:471:23: 471 | INTEGER size_last | ^ note: 'size_last' was declared here Compiling tce_mo2e_offset_size.F... Compiling tce_mo2e_trans.F... Compiling atpart_nalength.F... Compiling tce_mo2e_zones_4a_disk_ga.F... tce_mo2e_zones_4a_disk_ga.F:574:72: 574 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga.F:78:34: 78 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_zones_4a_disk_ga_chop.F... tce_mo2e_zones_4a_disk_ga_chop.F:580:72: 580 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop.F:84:34: 84 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_zones_4a_disk_2s_new.F... Compiling tce_restart.F... Compiling tce_restart_triples.F... Compiling tce_restart_quadruples.F... Compiling tce_dens_hh_offset.F... Compiling tce_dens_hp_offset.F... Compiling tce_dens_pp_offset.F... Compiling tce_dens_ph_offset.F... Compiling get_mo_rdm_hh.F... Compiling get_mo_rdm_hp.F... Compiling get_mo_rdm_ph.F... Compiling get_mo_rdm_pp.F... Compiling ao_rdm_write.F... Compiling tce_prop_start.F... Compiling tce_property.F... Compiling tce_diagnose_t1.F... Compiling tce_fourindex_driver.F... Compiling tce_fock_create.F... Compiling tce_multipole_create.F... Compiling tce_reference_check.F... tce_reference_check.F:43:53: 35 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 43 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_fourindex_cleanup.F... Compiling tce_fock_destroy.F... Compiling tce_multipole_destroy.F... Compiling tce_create_t1.F... Compiling tce_create_t2.F... Compiling tce_create_t3.F... Compiling tce_create_t4.F... Compiling tce_create_x1.F... Compiling tce_create_x2.F... Compiling tce_create_x3.F... Compiling tce_create_x4.F... Compiling tce_create_y1.F... Compiling tce_create_y2.F... Compiling tce_create_y3.F... Compiling tce_create_y4.F... Compiling tce_clone_x1.F... Compiling tce_clone_x2.F... Compiling tce_clone_x3.F... Compiling tce_clone_x4.F... Compiling tce_clone_y1.F... Compiling tce_clone_y2.F... Compiling tce_clone_y3.F... Compiling tce_clone_y4.F... Compiling tce_t1_offset_new.F... Compiling tce_t2_offset_new.F... Compiling tce_t3_offset_new.F... Compiling tce_t4_offset_new.F... Compiling tce_x1_offset_new.F... Compiling tce_x2_offset_new.F... Compiling tce_x3_offset_new.F... Compiling tce_x4_offset_new.F... Compiling tce_y1_offset_new.F... Compiling tce_y2_offset_new.F... Compiling tce_y3_offset_new.F... Compiling tce_y4_offset_new.F... Compiling tce_ccsd_driver.F... Compiling tce_ccsdt_driver.F... Compiling tce_ccsdtq_driver.F... Compiling tce_ccsd_perturbative.F... Compiling tce_ccsd_lambda_perturbative.F... Compiling tce_ccsd_lambda_driver.F... Compiling tce_ccsdt_lambda_driver.F... Compiling tce_ccsdtq_lambda_driver.F... Compiling tce_ccsd_response_driver.F... Compiling tce_ccsdt_response_driver.F... Compiling tce_ccsdtq_response_driver.F... Compiling tce_ccsd_symm_polar.F... Compiling tce_ccsdt_symm_polar.F... Compiling tce_ccsdtq_symm_polar.F... Compiling tce_ccsd_lambda_response_driver.F... Compiling tce_ccsd_asym_polar.F... Compiling tce_ccsd_hyperpolar.F... Compiling tce_ao2e_new.F... Compiling tce_mo2e_new.F... Compiling tce_tile_new.F... tce_tile_new.F:112:50: 98 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then | 2 ...... 112 | if (.not.rtdb_get(rtdb,'tce:vcut',mt_dbl,1,vcut)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_tile_new.F:451:72: 451 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:387:23: 387 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here tce_tile_new.F:750:72: 750 | oatiles(1)=nblocks_a | ^ Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] tce_tile_new.F:686:23: 686 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here Compiling tce_init_new.F... tce_init_new.F:121:51: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 121 | if (.not.rtdb_get(rtdb,'dft:ipol',mt_int,1,ipol)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). tce_init_new.F:201:54: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 201 | if (.not.rtdb_put(rtdb,'tce:maxiter',mt_int,1,maxiter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). tce_init_new.F:335:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 335 | if (.not.rtdb_put(rtdb,'tce:afreq',mt_dbl,anumfreq,afreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:349:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) | 2 ...... 349 | if (.not.rtdb_put(rtdb,'tce:bfreq',mt_dbl,bnumfreq,bfreq)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:353:53: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then | 2 ...... 353 | if (.not.rtdb_get(rtdb,'tce:respaxis',mt_log,3,respaxis)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) tce_init_new.F:602:10: 602 | if (rohf) nmo(2) = nmo(1) | ^ Warning: 'rohf' may be used uninitialized [-Wmaybe-uninitialized] tce_init_new.F:42:18: 42 | logical rohf | ^ note: 'rohf' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch.F... tce_mo2e_zones_4a_disk_4s_new_patch.F:256:10: 256 | if(i.eq.ip_max1) go to 771 | ^ Warning: 'ip_max1' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch.F:101:41: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'ip_max1' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:101:33: 101 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:261:11: 261 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_4s_new_patch_m3.F:96:41: 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_ao2e_disk.F... Compiling tce_mo2e_disk.F... Compiling tce_mo2e_disk_2eorb.F... Compiling tce_mo2e_incore_2eorb.F... Compiling tce_mo2e_incore_2eorb_split.F... Compiling tce_mo2e_hybrid_2eorb_split.F... tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_max2' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:102:33: 102 | integer size_max1,size_max2,ip_max1,ip_max2 | ^ note: 'size_max2' declared here tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then | ^ Warning: 'size_4af' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_hybrid_2eorb_split.F:97:41: 97 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here Compiling tce_mo2e_offset_intorb_hybrid.F... Compiling tce_mo2e_2emet3.F... tce_mo2e_2emet3.F:572:72: 572 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet3.F:76:34: 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_2emet3_n5.F... tce_mo2e_2emet3_n5.F:602:72: 602 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet3_n5.F:76:34: 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_2emet4.F... tce_mo2e_2emet4.F:578:72: 578 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet4.F:82:34: 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_2emet4_n5.F... tce_mo2e_2emet4_n5.F:578:72: 578 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_2emet4_n5.F:82:34: 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling get_hash_block_ma.F... Compiling ccsd_energy_loc.F... Compiling cc2_energy.F... Compiling ccsd_lambda.F... Compiling ccsd_lr_alpha.F... Compiling ccsd_qr_beta.F... Compiling tce_dgeev.F... Compiling tce_schmidt.F... Compiling tensor_read_write.F... tensor_read_write.F:129:39: 95 | k = eaf_write(unitn, offset, max_ioprocs, | 2 ...... 129 | k = eaf_write(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tensor_read_write.F:302:38: 275 | k = eaf_read(unitn, offset, max_ioprocs_r, | 2 ...... 302 | k = eaf_read(unitn, offset, dbl_mb(k_aux),lgth) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling tce_diis_act.F... Compiling tce_mo2e_zones_4a_disk_ga_act.F... tce_mo2e_zones_4a_disk_ga_act.F:738:72: 738 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_act.F:86:34: 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_zones_4a_disk_ga_chop_act.F... tce_mo2e_zones_4a_disk_ga_chop_act.F:753:72: 753 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop_act.F:91:34: 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_t2a_offset.F... Compiling tce_x2a_offset.F... Compiling new_ga4ind_N5.F... new_ga4ind_N5.F:2049:39: 2049 | call n4ind_transp(buf,dbl_mb(k_work1),nalength, | 1 Warning: Rank mismatch in argument 'k_4a' at (1) (rank-1 and scalar) Compiling new4ind_N5_osu.F... Compiling tce_mo2e_zones_4a_disk_ga_N5.F... tce_mo2e_zones_4a_disk_ga_N5.F:700:72: 700 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_N5.F:86:34: 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_mo2e_zones_4a_disk_ga_chop_N5.F... tce_mo2e_zones_4a_disk_ga_chop_N5.F:738:72: 738 | key_end(i)=ibuba | ^ Warning: 'ibuba' may be used uninitialized [-Wmaybe-uninitialized] tce_mo2e_zones_4a_disk_ga_chop_N5.F:91:34: 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here Compiling tce_eom_xguess.F... Compiling tce_eom_yguess.F... Compiling ma_transpose.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce' Making all in include gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/include' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/include' gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/include' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/include' Making all in diis gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis' Compiling tce_diis.F... Compiling tce_diis_init.F... Compiling tce_diis_switch.F... Compiling tce_diis_tidy.F... Compiling tce_jacobi_t1.F... Compiling tce_jacobi_t2.F... Compiling tce_jacobi_t3.F... Compiling tce_jacobi_t4.F... Compiling tce_jacobi_l1.F... Compiling tce_jacobi_l2.F... Compiling tce_jacobi_l3.F... Compiling tce_jacobi_l4.F... Compiling tce_jacobi_x1.F... Compiling tce_jacobi_x2.F... Compiling tce_jacobi_x3.F... Compiling tce_jacobi_x4.F... Compiling tce_jacobi_y1.F... Compiling tce_jacobi_y2.F... Compiling tce_jacobi_y3.F... Compiling tce_jacobi_y4.F... Compiling tce_jacobi_t3a.F... Compiling tce_jacobi_x3a.F... Compiling t2_2_y2.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a tce_diis.o tce_diis_init.o tce_diis_switch.o tce_diis_tidy.o tce_jacobi_t1.o tce_jacobi_t2.o tce_jacobi_t3.o tce_jacobi_t4.o tce_jacobi_l1.o tce_jacobi_l2.o tce_jacobi_l3.o tce_jacobi_l4.o tce_jacobi_x1.o tce_jacobi_x2.o tce_jacobi_x3.o tce_jacobi_x4.o tce_jacobi_y1.o tce_jacobi_y2.o tce_jacobi_y3.o tce_jacobi_y4.o tce_jacobi_t3a.o tce_jacobi_x3a.o t2_2_y2.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis' Making all in diis2 gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis2' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis2' Compiling tce_diis2.F... Compiling tce_jacobi_tr1.F... Compiling tce_jacobi_tr2.F... Compiling tce_jacobi_tr3.F... Compiling tce_jacobi_tr4.F... Compiling tce_jacobi_lr1.F... Compiling tce_jacobi_lr2.F... Compiling tce_jacobi_lr3.F... Compiling tce_jacobi_lr4.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis2' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis2' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a tce_diis2.o tce_jacobi_tr1.o tce_jacobi_tr2.o tce_jacobi_tr3.o tce_jacobi_tr4.o tce_jacobi_lr1.o tce_jacobi_lr2.o tce_jacobi_lr3.o tce_jacobi_lr4.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis2' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/diis2' Making all in gradients gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/gradients' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/gradients' Compiling tce_gradient.F... tce_gradient.F:325:54: 317 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then | 2 ...... 325 | if (.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,ref)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). tce_gradient.F:940:54: 319 | if (.not.rtdb_put(rtdb,'tce:reference',mt_int,1,reference)) | 2 ...... 940 | if (.not.rtdb_put(rtdb,'tce:energy',mt_dbl,1,ref+corr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_energy.F... Compiling ccsd_left.F... Compiling ccsd_gradient.F... Compiling ccsd_1pdm_hh_mo.F... Compiling ccsd_1pdm_pp_mo.F... Compiling ccsd_1pdm_hp_mo.F... Compiling ccsd_1pdm_ph_mo.F... Compiling ccsd_2pdm_hhhh_mo.F... Compiling ccsd_2pdm_hhhp_mo.F... Compiling ccsd_2pdm_hhpp_mo.F... Compiling ccsd_2pdm_hphh_mo.F... Compiling ccsd_2pdm_hphp_mo.F... Compiling ccsd_2pdm_hppp_mo.F... Compiling ccsd_2pdm_pphh_mo.F... Compiling ccsd_2pdm_pphp_mo.F... Compiling ccsd_2pdm_pppp_mo.F... Compiling zvec_x_a_a.F... Compiling zvec_x_a_b_a.F... Compiling zvec_x_a_b_b.F... Compiling zvec_x_a_c_a.F... Compiling zvec_x_a_c_b.F... Compiling zvec_x_a_d.F... Compiling zvec_x_a_e_a.F... Compiling zvec_x_a_e_b.F... Compiling zvec_x_a_f_a.F... Compiling zvec_x_a_f_b.F... Compiling zvec_x_b_a_a.F... Compiling zvec_x_b_a_b.F... Compiling zvec_x_b_b_a.F... Compiling zvec_x_b_b_b.F... Compiling zvec_x_b_c.F... Compiling zvec_x_b_d_a.F... Compiling zvec_x_b_d_b.F... Compiling zvec_x_b_e_a.F... Compiling zvec_x_b_e_b.F... Compiling zvec_x_b_f.F... Compiling zvec_x_c_a.F... Compiling zvec_x_c_b.F... Compiling ccsd_zvec.F... Compiling wdm_hh_mo_a.F... Compiling wdm_hh_mo_b_a_a.F... Compiling wdm_hh_mo_b_a_b.F... Compiling wdm_hh_mo_b_b_a.F... Compiling wdm_hh_mo_b_b_b.F... Compiling wdm_hh_mo_c_a.F... Compiling wdm_hh_mo_c_b_a.F... Compiling wdm_hh_mo_c_b_b.F... Compiling wdm_hh_mo_c_c_a.F... Compiling wdm_hh_mo_c_c_b.F... Compiling wdm_hh_mo_c_d.F... Compiling wdm_hh_mo_c_e_a.F... Compiling wdm_hh_mo_c_e_b.F... Compiling wdm_hh_mo_c_f_a.F... Compiling wdm_hh_mo_c_f_b.F... Compiling wdm_hh_mo_d.F... Compiling wdm_hp_mo_a.F... Compiling wdm_hp_mo_b_a_a.F... Compiling wdm_hp_mo_b_a_b.F... Compiling wdm_hp_mo_b_b_a.F... Compiling wdm_hp_mo_b_b_b.F... Compiling wdm_hp_mo_b_c.F... Compiling wdm_hp_mo_b_d_a.F... Compiling wdm_hp_mo_b_d_b.F... Compiling wdm_hp_mo_b_e_a.F... Compiling wdm_hp_mo_b_e_b.F... Compiling wdm_hp_mo_b_f.F... Compiling wdm_hp_mo_c.F... Compiling wdm_pp_mo_a.F... Compiling wdm_pp_mo_b_a_a.F... Compiling wdm_pp_mo_b_a_b.F... Compiling wdm_pp_mo_b_b_a.F... Compiling wdm_pp_mo_b_b_b.F... Compiling wdm_pp_mo_b_c.F... Compiling wdm_pp_mo_b_d_a.F... Compiling wdm_pp_mo_b_d_b.F... Compiling wdm_pp_mo_b_e_a.F... Compiling wdm_pp_mo_b_e_b.F... Compiling wdm_pp_mo_b_f.F... Compiling tce_grad_tidy.F... Compiling tce_ccsd_1prdm.F... Compiling tce_dens_hhhh_offset.F... Compiling tce_dens_hhhp_offset.F... Compiling tce_dens_hhpp_offset.F... Compiling tce_dens_hphh_offset.F... Compiling tce_dens_hphp_offset.F... Compiling tce_dens_hppp_offset.F... Compiling tce_dens_pphh_offset.F... Compiling tce_dens_pphp_offset.F... Compiling tce_dens_pppp_offset.F... Compiling tce_zvec_x1_offset.F... Compiling tce_2pdm_offset.F... Compiling put_2pdm_hhhh.F... Compiling put_2pdm_hhhp.F... Compiling put_2pdm_hhpp.F... Compiling put_2pdm_hphh.F... Compiling put_2pdm_hphp.F... Compiling put_2pdm_hppp.F... Compiling put_2pdm_pphh.F... Compiling put_2pdm_pphp.F... Compiling put_2pdm_pppp.F... Compiling tce_1pdm_offset.F... Compiling put_1pdm_hh.F... Compiling put_1pdm_hp.F... Compiling put_1pdm_ph.F... Compiling put_1pdm_ph_2.F... Compiling put_1pdm_pp.F... Compiling put_1pwdm_hp.F... Compiling ao_tiles.F... Compiling btrans1.F... Compiling ao_1prdm_write.F... Compiling tce_gradients_doit.F... Compiling tce_grad_force.F... tce_grad_force.F:202:63: 200 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) | 2 201 | $ ocdfit = .false. 202 | if (.not. rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, xfac)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling tce_grad1.F... Compiling tce_grad2.F... Compiling sym_2pdm_ao.F... Compiling btrans2.F... Compiling eomccsd_energy.F... Compiling eomccsd_left.F... Compiling eomccsd_gradients.F... Compiling eomccsd_1pdm_hh_mo.F... Compiling eomccsd_1pdm_pp_mo.F... Compiling tce_eomccsd_1prdm.F... Compiling eomccsd_2pdm_hhhh_mo.F... Compiling eomccsd_2pdm_hhhp_mo.F... Compiling eomccsd_2pdm_hhpp_mo.F... Compiling eomccsd_2pdm_hphh_mo.F... Compiling eomccsd_2pdm_hphp_mo.F... Compiling eomccsd_2pdm_hppp_mo.F... Compiling eomccsd_2pdm_pphh_mo.F... Compiling eomccsd_2pdm_pphp_mo.F... Compiling eomccsd_2pdm_pppp_mo.F... Compiling eomccsd_z1.F... Compiling eomccsd_z2.F... Compiling eomccsd_2pdm_pphh_zvec_mo.F... Compiling eomccsd_1pdm_hp_mo.F... Compiling eomccsd_1pdm_ph_mo.F... Compiling eomccsd_x1_grad.F... Compiling eomccsd_x2_grad.F... Compiling tce_eom_xdiagon_grad.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/gradients' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/gradients' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a tce_gradient.o ccsd_energy.o ccsd_left.o ccsd_gradient.o ccsd_1pdm_hh_mo.o ccsd_1pdm_pp_mo.o ccsd_1pdm_hp_mo.o ccsd_1pdm_ph_mo.o ccsd_2pdm_hhhh_mo.o ccsd_2pdm_hhhp_mo.o ccsd_2pdm_hhpp_mo.o ccsd_2pdm_hphh_mo.o ccsd_2pdm_hphp_mo.o ccsd_2pdm_hppp_mo.o ccsd_2pdm_pphh_mo.o ccsd_2pdm_pphp_mo.o ccsd_2pdm_pppp_mo.o zvec_x_a_a.o zvec_x_a_b_a.o zvec_x_a_b_b.o zvec_x_a_c_a.o zvec_x_a_c_b.o zvec_x_a_d.o zvec_x_a_e_a.o zvec_x_a_e_b.o zvec_x_a_f_a.o zvec_x_a_f_b.o zvec_x_b_a_a.o zvec_x_b_a_b.o zvec_x_b_b_a.o zvec_x_b_b_b.o zvec_x_b_c.o zvec_x_b_d_a.o zvec_x_b_d_b.o zvec_x_b_e_a.o zvec_x_b_e_b.o zvec_x_b_f.o zvec_x_c_a.o zvec_x_c_b.o ccsd_zvec.o wdm_hh_mo_a.o wdm_hh_mo_b_a_a.o wdm_hh_mo_b_a_b.o wdm_hh_mo_b_b_a.o wdm_hh_mo_b_b_b.o wdm_hh_mo_c_a.o wdm_hh_mo_c_b_a.o wdm_hh_mo_c_b_b.o wdm_hh_mo_c_c_a.o wdm_hh_mo_c_c_b.o wdm_hh_mo_c_d.o wdm_hh_mo_c_e_a.o wdm_hh_mo_c_e_b.o wdm_hh_mo_c_f_a.o wdm_hh_mo_c_f_b.o wdm_hh_mo_d.o wdm_hp_mo_a.o wdm_hp_mo_b_a_a.o wdm_hp_mo_b_a_b.o wdm_hp_mo_b_b_a.o wdm_hp_mo_b_b_b.o wdm_hp_mo_b_c.o wdm_hp_mo_b_d_a.o wdm_hp_mo_b_d_b.o wdm_hp_mo_b_e_a.o wdm_hp_mo_b_e_b.o wdm_hp_mo_b_f.o wdm_hp_mo_c.o wdm_pp_mo_a.o wdm_pp_mo_b_a_a.o wdm_pp_mo_b_a_b.o wdm_pp_mo_b_b_a.o wdm_pp_mo_b_b_b.o wdm_pp_mo_b_c.o wdm_pp_mo_b_d_a.o wdm_pp_mo_b_d_b.o wdm_pp_mo_b_e_a.o wdm_pp_mo_b_e_b.o wdm_pp_mo_b_f.o tce_grad_tidy.o tce_ccsd_1prdm.o tce_dens_hhhh_offset.o tce_dens_hhhp_offset.o tce_dens_hhpp_offset.o tce_dens_hphh_offset.o tce_dens_hphp_offset.o tce_dens_hppp_offset.o tce_dens_pphh_offset.o tce_dens_pphp_offset.o tce_dens_pppp_offset.o tce_zvec_x1_offset.o tce_2pdm_offset.o put_2pdm_hhhh.o put_2pdm_hhhp.o put_2pdm_hhpp.o put_2pdm_hphh.o put_2pdm_hphp.o put_2pdm_hppp.o put_2pdm_pphh.o put_2pdm_pphp.o put_2pdm_pppp.o tce_1pdm_offset.o put_1pdm_hh.o put_1pdm_hp.o put_1pdm_ph.o put_1pdm_ph_2.o put_1pdm_pp.o put_1pwdm_hp.o ao_tiles.o btrans1.o ao_1prdm_write.o tce_gradients_doit.o tce_grad_force.o tce_grad1.o tce_grad2.o sym_2pdm_ao.o btrans2.o eomccsd_energy.o eomccsd_left.o eomccsd_gradients.o eomccsd_1pdm_hh_mo.o eomccsd_1pdm_pp_mo.o tce_eomccsd_1prdm.o eomccsd_2pdm_hhhh_mo.o eomccsd_2pdm_hhhp_mo.o eomccsd_2pdm_hhpp_mo.o eomccsd_2pdm_hphh_mo.o eomccsd_2pdm_hphp_mo.o eomccsd_2pdm_hppp_mo.o eomccsd_2pdm_pphh_mo.o eomccsd_2pdm_pphp_mo.o eomccsd_2pdm_pppp_mo.o eomccsd_z1.o eomccsd_z2.o eomccsd_2pdm_pphh_zvec_mo.o eomccsd_1pdm_hp_mo.o eomccsd_1pdm_ph_mo.o eomccsd_x1_grad.o eomccsd_x2_grad.o tce_eom_xdiagon_grad.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/gradients' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/gradients' Making all in ccsd gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd' Compiling ccsd_e.F... Compiling ccsd_t1.F... Compiling ccsd_t2.F... Compiling cc2_t1.F... Compiling cc2_t2.F... Compiling ccsd_1prdm.F... Compiling ccsd_1prdm_hh.F... Compiling ccsd_1prdm_hp.F... Compiling ccsd_1prdm_ph.F... Compiling ccsd_1prdm_pp.F... Compiling icsd_t1.F... Compiling icsd_t2.F... Compiling ccsd_kernels.F... Compiling ccsd_t2_8.F... Compiling tce_1b_dens_print.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a ccsd_e.o ccsd_t1.o ccsd_t2.o cc2_t1.o cc2_t2.o ccsd_1prdm.o ccsd_1prdm_hh.o ccsd_1prdm_hp.o ccsd_1prdm_ph.o ccsd_1prdm_pp.o icsd_t1.o icsd_t2.o ccsd_kernels.o ccsd_t2_8.o tce_1b_dens_print.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd' Making all in ccsd_lambda gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_lambda' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_lambda' Compiling ccsd_lambda1_1.F... Compiling ccsd_lambda1_2.F... Compiling ccsd_lambda2.F... Compiling ccsd_density1.F... Compiling ccsd_lambda1_mod.F... ccsd_lambda1_mod.F:5436:72: 5436 | &+nvab) * (h6b_2 - 1))))) | 1 Warning: Missing actual argument for argument '_formal_44' at (1) gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_lambda' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_lambda' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a ccsd_lambda1_1.o ccsd_lambda1_2.o ccsd_lambda2.o ccsd_density1.o ccsd_lambda1_mod.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_lambda' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_lambda' Making all in eomccsd gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd' Compiling eomccsd_x1.F... Compiling eomccsd_x2.F... Compiling eomccsd_y1.F... Compiling eomccsd_y2.F... Compiling eomccsd_density1.F... Compiling eomccsd_denominator.F... Compiling cc2_x1.F... Compiling cc2_x2.F... Compiling eomccsd_1prdm.F... Compiling eomccsd_1prdm_hh.F... Compiling eomccsd_1prdm_hp.F... Compiling eomccsd_1prdm_ph.F... Compiling eomccsd_1prdm_pp.F... Compiling eomccsd_x1_old.F... Compiling eomccsd_x2_old.F... Compiling eomicsd_x1.F... Compiling eomicsd_x2.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a eomccsd_x1.o eomccsd_x2.o eomccsd_y1.o eomccsd_y2.o eomccsd_density1.o eomccsd_denominator.o cc2_x1.o cc2_x2.o eomccsd_1prdm.o eomccsd_1prdm_hh.o eomccsd_1prdm_hp.o eomccsd_1prdm_ph.o eomccsd_1prdm_pp.o eomccsd_x1_old.o eomccsd_x2_old.o eomicsd_x1.o eomicsd_x2.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd' Making all in ccsd_t gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_t' Compiling cr_ccsd_t.F... Compiling lr_ccsd_t.F... gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_t' Compiling ccsd_t.F... Compiling ccsd_t_doubles.F... Compiling ccsd_t_singles.F... Compiling lambda_ccsd_t.F... Compiling lambda_ccsd_t_left.F... Compiling ccsd_t_doubles_l.F... Compiling ccsd_t_singles_l.F... Compiling ccsd2_t.F... ccsd2_t.F:75:72: 75 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_t.F:35:21: 35 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_t.F:80:72: 80 | 4 l_i1_offset_5,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_t.F:36:20: 36 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsd2_t_left.F... Compiling ccsd2_q.F... ccsd2_q.F:55:72: 55 | 4 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsd2_q.F:32:21: 32 | integer k_right,l_right | ^ note: 'k_right' declared here ccsd2_q.F:58:72: 58 | 2 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsd2_q.F:33:20: 33 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsd2_q_left.F... Compiling ccsd2_q_right.F... Compiling ccsdt2_q.F... ccsdt2_q.F:77:72: 77 | 7 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] ccsdt2_q.F:42:21: 42 | integer k_right,l_right | ^ note: 'k_right' declared here ccsdt2_q.F:83:72: 83 | 5 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] ccsdt2_q.F:43:20: 43 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsdt2_q_left.F... Compiling ccsdt2_q_right.F... Compiling cr_ccsd_t_D.F... Compiling cr_ccsd_t_E.F... Compiling cr_ccsd_t_N.F... Compiling lr_ccsd_tq.F... Compiling cr_qcisd_t.F... cr_qcisd_t.F:260:72: 260 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right_3' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:221:23: 221 | integer k_right_3,l_right_3 | ^ note: 'k_right_3' declared here cr_qcisd_t.F:263:72: 263 | 2 l_i1_offset_3,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_denom' is used uninitialized [-Wuninitialized] cr_qcisd_t.F:222:21: 222 | integer k_denom,l_denom | ^ note: 'k_denom' declared here Compiling m2_dot_m1t1.F... Compiling ccsd_t_restart.F... ccsd_t_restart.F:82:21: 59 | 1 ccsd_t_restart_begin)) then | 2 ...... 82 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). ccsd_t_restart.F:87:23: 62 | 1 ccsd_t_restart_begin)) then | 2 ...... 87 | 1 size_table,dbl_mb(k_triples_table))) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling ccsd_t_6dts.F... Compiling ccsd_t_singles_l_6dts.F... Compiling ccsd_t_doubles_l_6dts.F... Compiling ccsd_t_dts_kernels_omp.F... Compiling ccsd_t_transpose.F... Compiling offl_ccsd_t_doubles_l.F... Compiling ccsd_t_kernels_omp.F... Compiling tce_hashnsort.F... Compiling ccsd_t_pstat.F... Compiling ccsd_t_dot.F... Compiling ccsd_t_neword.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_t' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_t' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a cr_ccsd_t.o lr_ccsd_t.o ccsd_t.o ccsd_t_doubles.o ccsd_t_singles.o lambda_ccsd_t.o lambda_ccsd_t_left.o ccsd_t_doubles_l.o ccsd_t_singles_l.o ccsd2_t.o ccsd2_t_left.o ccsd2_q.o ccsd2_q_left.o ccsd2_q_right.o ccsdt2_q.o ccsdt2_q_left.o ccsdt2_q_right.o cr_ccsd_t_D.o cr_ccsd_t_E.o cr_ccsd_t_N.o lr_ccsd_tq.o cr_qcisd_t.o m2_dot_m1t1.o ccsd_t_restart.o ccsd_t_6dts.o ccsd_t_singles_l_6dts.o ccsd_t_doubles_l_6dts.o ccsd_t_dts_kernels_omp.o ccsd_t_transpose.o offl_ccsd_t_doubles_l.o ccsd_t_kernels_omp.o tce_hashnsort.o ccsd_t_pstat.o ccsd_t_dot.o ccsd_t_neword.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_t' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_t' Making all in cr-eomccsd_t gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr-eomccsd_t' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr-eomccsd_t' Compiling c1_c1.F... Compiling c2_c2.F... Compiling cr_eomccsd_t.F... cr_eomccsd_t.F:279:72: 279 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:85:20: 85 | integer k_left,l_left | ^ note: 'k_left' declared here cr_eomccsd_t.F:265:72: 265 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t.F:83:21: 83 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here Compiling cr_eomccsd_t_gr.F... cr_eomccsd_t_gr.F:143:72: 143 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:64:22: 64 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here cr_eomccsd_t_gr.F:153:72: 153 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' is used uninitialized [-Wuninitialized] cr_eomccsd_t_gr.F:66:20: 66 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here Compiling t2t12.F... Compiling nr0.F... Compiling c1excit2.F... Compiling c2excit2.F... Compiling q3rexpt2.F... Compiling cr_s_m3.F... Compiling cr_eomccsd_t_n2.F... Compiling cr_eomccsd_t_n2_1.F... Compiling cr_eomccsd_t_n2_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1.F... Compiling cr_eomccsd_t_n2_1_1_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_1.F... Compiling cr_eomccsd_t_n2_1_1_2.F... Compiling cr_eomccsd_t_n2_1_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_1_2_1.F... Compiling cr_eomccsd_t_n2_1_1_2_2.F... Compiling cr_eomccsd_t_n2_1_1_3.F... Compiling cr_eomccsd_t_n2_1_2.F... Compiling cr_eomccsd_t_n2_1_3.F... Compiling cr_eomccsd_t_n2_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_1.F... Compiling cr_eomccsd_t_n2_1_3_2.F... Compiling cr_eomccsd_t_n2_1_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_1_3_2_1.F... Compiling cr_eomccsd_t_n2_1_3_3.F... Compiling cr_eomccsd_t_n2_1_4.F... Compiling cr_eomccsd_t_n2_1_4_1.F... Compiling offset_cr_eomccsd_t_n2_1_4_1.F... Compiling cr_eomccsd_t_n2_1_5.F... Compiling cr_eomccsd_t_n2_1_5_1.F... Compiling offset_cr_eomccsd_t_n2_1_5_1.F... Compiling cr_eomccsd_t_n2_1_6.F... Compiling cr_eomccsd_t_n2_1_6_1.F... Compiling offset_cr_eomccsd_t_n2_1_6_1.F... Compiling cr_eomccsd_t_n2_1_7.F... Compiling cr_eomccsd_t_n2_1_7_1.F... Compiling offset_cr_eomccsd_t_n2_1_7_1.F... Compiling cr_eomccsd_t_n2_1_7_2.F... Compiling cr_eomccsd_t_n2_1_8.F... Compiling cr_eomccsd_t_n2_1_8_1.F... Compiling offset_cr_eomccsd_t_n2_1_8_1.F... Compiling cr_eomccsd_t_n2_1_8_2.F... Compiling cr_eomccsd_t_n2_1_9.F... Compiling cr_eomccsd_t_n2_2.F... Compiling cr_eomccsd_t_n2_2_1.F... Compiling offset_cr_eomccsd_t_n2_2_1.F... Compiling cr_eomccsd_t_n2_2_1_1.F... Compiling offset_cr_eomccsd_t_n2_2_1_1.F... Compiling cr_eomccsd_t_n2_2_1_2.F... Compiling cr_eomccsd_t_n2_2_1_3.F... Compiling cr_eomccsd_t_n2_2_1_4.F... Compiling cr_eomccsd_t_n2_3.F... Compiling cr_eomccsd_t_n2_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_1.F... Compiling cr_eomccsd_t_n2_3_2.F... Compiling cr_eomccsd_t_n2_3_2_1.F... Compiling offset_cr_eomccsd_t_n2_3_2_1.F... Compiling cr_eomccsd_t_n2_3_3.F... Compiling cr_eomccsd_t_n2_3_3_1.F... Compiling offset_cr_eomccsd_t_n2_3_3_1.F... Compiling cr_eomccsd_t_n2_3_3_2.F... Compiling cr_eomccsd_t_n2_3_4.F... Compiling cr_eomccsd_t_n2_4.F... Compiling cr_eomccsd_t_n2_4_1.F... Compiling offset_cr_eomccsd_t_n2_4_1.F... Compiling cr_eomccsd_t_n2_4_1_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_1.F... Compiling cr_eomccsd_t_n2_4_1_2.F... Compiling cr_eomccsd_t_n2_4_1_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_2_1.F... Compiling cr_eomccsd_t_n2_4_1_3.F... Compiling cr_eomccsd_t_n2_4_1_3_1.F... Compiling offset_cr_eomccsd_t_n2_4_1_3_1.F... Compiling cr_eomccsd_t_n2_4_1_4.F... Compiling cr_eomccsd_t_n2_4_2.F... Compiling cr_eomccsd_t_n2_4_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2.F... Compiling cr_eomccsd_t_n2_4_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_4_2_2_1.F... Compiling cr_eomccsd_t_n2_4_2_2_2.F... Compiling cr_eomccsd_t_n2_4_2_3.F... Compiling cr_eomccsd_t_n2_4_2_4.F... Compiling cr_eomccsd_t_n2_5.F... Compiling cr_eomccsd_t_n2_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_1.F... Compiling cr_eomccsd_t_n2_5_2.F... Compiling cr_eomccsd_t_n2_5_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2.F... Compiling cr_eomccsd_t_n2_5_2_2_1.F... Compiling offset_cr_eomccsd_t_n2_5_2_2_1.F... Compiling cr_eomccsd_t_n2_5_2_2_2.F... Compiling cr_eomccsd_t_n2_5_2_3.F... Compiling cr_eomccsd_t_n2_5_3.F... Compiling cr_eomccsd_t_n2_5_3_1.F... Compiling offset_cr_eomccsd_t_n2_5_3_1.F... Compiling cr_eomccsd_t_n2_5_3_2.F... Compiling cr_eomccsd_t_n2_5_4.F... Compiling cr_eomccsd_t_n2_5_4_1.F... Compiling offset_cr_eomccsd_t_n2_5_4_1.F... Compiling cr_eomccsd_t_n2_5_4_2.F... Compiling cr_eomccsd_t_n2_5_5.F... Compiling cr_eomccsd_t_n2_5_5_1.F... Compiling offset_cr_eomccsd_t_n2_5_5_1.F... Compiling cr_eomccsd_t_n2_5_5_2.F... Compiling cr_eomccsd_t_n2_5_6.F... Compiling cr_eomccsd_t_n2_6.F... Compiling cr_eomccsd_t_n2_6_1.F... Compiling offset_cr_eomccsd_t_n2_6_1.F... Compiling cr_eomccsd_t_n2_6_2.F... Compiling cr_eomccsd_t_n2_6_3.F... Compiling cr_eomccsd_t_n2_6_3_1.F... Compiling offset_cr_eomccsd_t_n2_6_3_1.F... Compiling cr_eomccsd_t_n2_6_3_2.F... Compiling cr_eomccsd_t_n2_6_4.F... Compiling creomccsd_t_n2_mem.F... Compiling q3rexpt2_6dts.F... Compiling creomccsd_t_n2_mem_6dts.F... Compiling cr_eomccsd_t_6dts.F... cr_eomccsd_t_6dts.F:294:72: 294 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:97:20: 97 | integer k_left,l_left | ^ note: 'k_left' declared here cr_eomccsd_t_6dts.F:280:72: 280 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts.F:95:21: 95 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here Compiling cr_ccsd_t_N_6dts.F... Compiling cr_ccsd_t_E_6dts.F... Compiling cr_eomccsd_t_6dts_d4d5_parallel.F... cr_eomccsd_t_6dts_d4d5_parallel.F:290:72: 290 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:93:20: 93 | integer k_left,l_left | ^ note: 'k_left' declared here cr_eomccsd_t_6dts_d4d5_parallel.F:276:72: 276 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_6dts_d4d5_parallel.F:91:21: 91 | integer k_right,l_right !r0*M3(T1,T2) | ^ note: 'k_right' declared here gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr-eomccsd_t' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr-eomccsd_t' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a c1_c1.o c2_c2.o cr_eomccsd_t.o cr_eomccsd_t_gr.o t2t12.o nr0.o c1excit2.o c2excit2.o q3rexpt2.o cr_s_m3.o cr_eomccsd_t_n2.o cr_eomccsd_t_n2_1.o cr_eomccsd_t_n2_1_1.o offset_cr_eomccsd_t_n2_1_1.o cr_eomccsd_t_n2_1_1_1.o offset_cr_eomccsd_t_n2_1_1_1.o cr_eomccsd_t_n2_1_1_2.o cr_eomccsd_t_n2_1_1_2_1.o offset_cr_eomccsd_t_n2_1_1_2_1.o cr_eomccsd_t_n2_1_1_2_2.o cr_eomccsd_t_n2_1_1_3.o cr_eomccsd_t_n2_1_2.o cr_eomccsd_t_n2_1_3.o cr_eomccsd_t_n2_1_3_1.o offset_cr_eomccsd_t_n2_1_3_1.o cr_eomccsd_t_n2_1_3_2.o cr_eomccsd_t_n2_1_3_2_1.o offset_cr_eomccsd_t_n2_1_3_2_1.o cr_eomccsd_t_n2_1_3_3.o cr_eomccsd_t_n2_1_4.o cr_eomccsd_t_n2_1_4_1.o offset_cr_eomccsd_t_n2_1_4_1.o cr_eomccsd_t_n2_1_5.o cr_eomccsd_t_n2_1_5_1.o offset_cr_eomccsd_t_n2_1_5_1.o cr_eomccsd_t_n2_1_6.o cr_eomccsd_t_n2_1_6_1.o offset_cr_eomccsd_t_n2_1_6_1.o cr_eomccsd_t_n2_1_7.o cr_eomccsd_t_n2_1_7_1.o offset_cr_eomccsd_t_n2_1_7_1.o cr_eomccsd_t_n2_1_7_2.o cr_eomccsd_t_n2_1_8.o cr_eomccsd_t_n2_1_8_1.o offset_cr_eomccsd_t_n2_1_8_1.o cr_eomccsd_t_n2_1_8_2.o cr_eomccsd_t_n2_1_9.o cr_eomccsd_t_n2_2.o cr_eomccsd_t_n2_2_1.o offset_cr_eomccsd_t_n2_2_1.o cr_eomccsd_t_n2_2_1_1.o offset_cr_eomccsd_t_n2_2_1_1.o cr_eomccsd_t_n2_2_1_2.o cr_eomccsd_t_n2_2_1_3.o cr_eomccsd_t_n2_2_1_4.o cr_eomccsd_t_n2_3.o cr_eomccsd_t_n2_3_1.o offset_cr_eomccsd_t_n2_3_1.o cr_eomccsd_t_n2_3_2.o cr_eomccsd_t_n2_3_2_1.o offset_cr_eomccsd_t_n2_3_2_1.o cr_eomccsd_t_n2_3_3.o cr_eomccsd_t_n2_3_3_1.o offset_cr_eomccsd_t_n2_3_3_1.o cr_eomccsd_t_n2_3_3_2.o cr_eomccsd_t_n2_3_4.o cr_eomccsd_t_n2_4.o cr_eomccsd_t_n2_4_1.o offset_cr_eomccsd_t_n2_4_1.o cr_eomccsd_t_n2_4_1_1.o offset_cr_eomccsd_t_n2_4_1_1.o cr_eomccsd_t_n2_4_1_2.o cr_eomccsd_t_n2_4_1_2_1.o offset_cr_eomccsd_t_n2_4_1_2_1.o cr_eomccsd_t_n2_4_1_3.o cr_eomccsd_t_n2_4_1_3_1.o offset_cr_eomccsd_t_n2_4_1_3_1.o cr_eomccsd_t_n2_4_1_4.o cr_eomccsd_t_n2_4_2.o cr_eomccsd_t_n2_4_2_1.o offset_cr_eomccsd_t_n2_4_2_1.o cr_eomccsd_t_n2_4_2_2.o cr_eomccsd_t_n2_4_2_2_1.o offset_cr_eomccsd_t_n2_4_2_2_1.o cr_eomccsd_t_n2_4_2_2_2.o cr_eomccsd_t_n2_4_2_3.o cr_eomccsd_t_n2_4_2_4.o cr_eomccsd_t_n2_5.o cr_eomccsd_t_n2_5_1.o offset_cr_eomccsd_t_n2_5_1.o cr_eomccsd_t_n2_5_2.o cr_eomccsd_t_n2_5_2_1.o offset_cr_eomccsd_t_n2_5_2_1.o cr_eomccsd_t_n2_5_2_2.o cr_eomccsd_t_n2_5_2_2_1.o offset_cr_eomccsd_t_n2_5_2_2_1.o cr_eomccsd_t_n2_5_2_2_2.o cr_eomccsd_t_n2_5_2_3.o cr_eomccsd_t_n2_5_3.o cr_eomccsd_t_n2_5_3_1.o offset_cr_eomccsd_t_n2_5_3_1.o cr_eomccsd_t_n2_5_3_2.o cr_eomccsd_t_n2_5_4.o cr_eomccsd_t_n2_5_4_1.o offset_cr_eomccsd_t_n2_5_4_1.o cr_eomccsd_t_n2_5_4_2.o cr_eomccsd_t_n2_5_5.o cr_eomccsd_t_n2_5_5_1.o offset_cr_eomccsd_t_n2_5_5_1.o cr_eomccsd_t_n2_5_5_2.o cr_eomccsd_t_n2_5_6.o cr_eomccsd_t_n2_6.o cr_eomccsd_t_n2_6_1.o offset_cr_eomccsd_t_n2_6_1.o cr_eomccsd_t_n2_6_2.o cr_eomccsd_t_n2_6_3.o cr_eomccsd_t_n2_6_3_1.o offset_cr_eomccsd_t_n2_6_3_1.o cr_eomccsd_t_n2_6_3_2.o cr_eomccsd_t_n2_6_4.o creomccsd_t_n2_mem.o q3rexpt2_6dts.o creomccsd_t_n2_mem_6dts.o cr_eomccsd_t_6dts.o cr_ccsd_t_N_6dts.o cr_ccsd_t_E_6dts.o cr_eomccsd_t_6dts_d4d5_parallel.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr-eomccsd_t' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr-eomccsd_t' Making all in lrh gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lrh' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lrh' Compiling tce_loc_j1.F... Compiling tce_loc_j2.F... tce_loc_j2.F:104:72: 104 | ih4alpha=int_mb(k_offset+h4alpha-1)+h4 | ^ Warning: 'h4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:49:21: 49 | integer h4alpha | ^ note: 'h4alpha' was declared here tce_loc_j2.F:103:72: 103 | ip2alpha=int_mb(k_offset+p2alpha-1)+p2 | ^ Warning: 'p2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:48:21: 48 | integer p2alpha | ^ note: 'p2alpha' was declared here tce_loc_j2.F:102:43: 102 | if(restricted.and.(spin_sum.eq.6)) then | ^ Warning: 'spin_sum' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:47:22: 47 | integer spin_sum,spin_suml | ^ note: 'spin_sum' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ih4alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:51:22: 51 | integer ih4alpha | ^ note: 'ih4alpha' was declared here tce_loc_j2.F:159:41: 159 | 1 (ih4alpha.eq.iha3).or.(ih4alpha.eq.iha4)) THEN | ^ Warning: 'ip2alpha' may be used uninitialized [-Wmaybe-uninitialized] tce_loc_j2.F:50:22: 50 | integer ip2alpha | ^ note: 'ip2alpha' was declared here gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lrh' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lrh' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a tce_loc_j1.o tce_loc_j2.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lrh' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lrh' Making all in emb gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/emb' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/emb' Compiling c1v.F... Compiling c2vt1_s.F... Compiling emb1.F... emb1.F:312:72: 312 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb1.F:79:19: 79 | integer k_den,l_den | ^ note: 'k_den' declared here emb1.F:303:72: 303 | &l_i2_offset_3,l_i2_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb1.F:81:22: 81 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb1.F:288:72: 288 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:80:22: 80 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb1.F:308:72: 308 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb1.F:89:20: 89 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb1.F:321:72: 321 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb1.F:126:20: 126 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb1.F:336:72: 336 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb1.F:128:25: 128 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here Compiling emb2.F... emb2.F:317:72: 317 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den' is used uninitialized [-Wuninitialized] emb2.F:81:19: 81 | integer k_den,l_den | ^ note: 'k_den' declared here emb2.F:308:72: 308 | &t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] emb2.F:83:22: 83 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here emb2.F:295:72: 295 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right1' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:82:22: 82 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here emb2.F:313:72: 313 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_den0' may be used uninitialized [-Wmaybe-uninitialized] emb2.F:92:20: 92 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here emb2.F:326:72: 326 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] emb2.F:129:20: 129 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here emb2.F:341:72: 341 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] emb2.F:131:25: 131 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/emb' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/emb' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a c1v.o c2vt1_s.o emb1.o emb2.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/emb' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/emb' Making all in ccd gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccd' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccd' Compiling ccd_e.F... Compiling ccd_t2.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccd' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a ccd_e.o ccd_t2.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccd' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccd' Making all in lccd gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccd' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccd' Compiling lccd_e.F... Compiling lccd_t2.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccd' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a lccd_e.o lccd_t2.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccd' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccd' Making all in lccsd gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccsd' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccsd' Compiling lccsd_e.F... Compiling lccsd_t1.F... Compiling lccsd_t2.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccsd' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccsd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a lccsd_e.o lccsd_t1.o lccsd_t2.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccsd' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/lccsd' Making all in qcisd gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/qcisd' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/qcisd' Compiling qcisd_e.F... Compiling qcisd_t1.F... Compiling qcisd_t2.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/qcisd' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/qcisd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a qcisd_e.o qcisd_t1.o qcisd_t2.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/qcisd' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/qcisd' Making all in cc3 gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cc3' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cc3' Compiling cc3_t3.F... Compiling ccsdt1b_t3.F... Compiling ccsdt2_t3.F... Compiling ccsdt3_t3.F... Compiling eomccsdt1_x3.F... Compiling eomcc3_x3.F... Compiling eomccsdt3_x3.F... Compiling cc3_lambda3.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cc3' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cc3' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a cc3_t3.o ccsdt1b_t3.o ccsdt2_t3.o ccsdt3_t3.o eomccsdt1_x3.o eomcc3_x3.o eomccsdt3_x3.o cc3_lambda3.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cc3' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cc3' Making all in mbpt1 gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt1' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt1' Compiling mbpt1_t1.F... Compiling mbpt1_t2.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt1' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt1' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a mbpt1_t1.o mbpt1_t2.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt1' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt1' Making all in mbpt2 gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt2' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt2' Compiling mbpt2_e.F... Compiling mbpt2_t1.F... Compiling mbpt2_t2.F... Compiling mbpt2_t2_b.F... Compiling mbpt2_t3.F... Compiling mbpt2_t1_sd.F... Compiling mbpt2_t2_sd.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt2' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt2' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a mbpt2_e.o mbpt2_t1.o mbpt2_t2.o mbpt2_t2_b.o mbpt2_t3.o mbpt2_t1_sd.o mbpt2_t2_sd.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt2' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt2' Making all in mbpt3 gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt3' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt3' Compiling mbpt3_e.F... Compiling mbpt3_t1.F... Compiling mbpt3_t2.F... Compiling mbpt3_t1_sd.F... Compiling mbpt3_t2_sd.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt3' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt3' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a mbpt3_e.o mbpt3_t1.o mbpt3_t2.o mbpt3_t1_sd.o mbpt3_t2_sd.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt3' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt3' Making all in mbpt4 gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt4' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt4' Compiling mbpt4_e.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt4' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt4' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a mbpt4_e.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt4' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/mbpt4' Making all in cis gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cis' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cis' Compiling cis.F... Compiling cis_x1.F... Compiling cis_xdiagon.F... Compiling cis_xtidy.F... Compiling cis_xguess.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cis' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cis' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a cis.o cis_x1.o cis_xdiagon.o cis_xtidy.o cis_xguess.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cis' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cis' Making all in cisd gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisd' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisd' Compiling cisd_e.F... Compiling cisd_c1.F... Compiling cisd_c2.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisd' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisd' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a cisd_e.o cisd_c1.o cisd_c2.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisd' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisd' Making all in cisdt gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdt' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdt' Compiling cisdt_e.F... Compiling cisdt_c1.F... Compiling cisdt_c2.F... Compiling cisdt_c3.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdt' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdt' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a cisdt_e.o cisdt_c1.o cisdt_c2.o cisdt_c3.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdt' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdt' Making all in cisdtq gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdtq' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdtq' Compiling cisdtq_e.F... Compiling cisdtq_c1.F... Compiling cisdtq_c2.F... Compiling cisdtq_c3.F... Compiling cisdtq_c4.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdtq' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdtq' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a cisdtq_e.o cisdtq_c1.o cisdtq_c2.o cisdtq_c3.o cisdtq_c4.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdtq' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cisdtq' Making all in ccsd_act gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_act' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_act' Compiling ccsd_ea.F... Compiling ccsd_t1a.F... Compiling ccsd_t2a.F... Compiling activity.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_act' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_act' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a ccsd_ea.o ccsd_t1a.o ccsd_t2a.o activity.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_act' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_act' Making all in eomccsd_act gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd_act' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd_act' Compiling eomccsd_x1a.F... Compiling eomccsd_x2a.F... Compiling q2na_hc1.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd_act' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd_act' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a eomccsd_x1a.o eomccsd_x2a.o q2na_hc1.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd_act' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsd_act' Making all in cr_eomccsd_t_act gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr_eomccsd_t_act' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr_eomccsd_t_act' Compiling cr_ccsd_t_E_act.F... Compiling cr_eomccsd_t_act.F... cr_eomccsd_t_act.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here cr_eomccsd_t_act.F:253:72: 253 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_t_act.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here Compiling q3rexpt2_act.F... Compiling cr_ccsd_t_N_act.F... Compiling creomccsd_t_n2_act_mem.F... Compiling cr_eomccsd_tasim.F... cr_eomccsd_tasim.F:261:72: 261 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here cr_eomccsd_tasim.F:267:72: 267 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] cr_eomccsd_tasim.F:86:20: 86 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling cr_eomt_simac.F... Compiling ccsd_t_d_act.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr_eomccsd_t_act' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr_eomccsd_t_act' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a cr_ccsd_t_E_act.o cr_eomccsd_t_act.o q3rexpt2_act.o cr_ccsd_t_N_act.o creomccsd_t_n2_act_mem.o cr_eomccsd_tasim.o cr_eomt_simac.o ccsd_t_d_act.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr_eomccsd_t_act' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/cr_eomccsd_t_act' Making all in sort gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/sort' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/sort' Compiling tce_sort_4kg.c... Compiling tce_sort0.F... Compiling tce_sortacc0.f... Compiling new_sort2.F... Compiling new_sort4.F... Compiling new_sort6.F... Compiling tce_sort8.F... Compiling tce_sortacc8.F... Compiling tce_sort1.f... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/sort' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/sort' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a tce_sort_4kg.o tce_sort0.o tce_sortacc0.o new_sort2.o new_sort4.o new_sort6.o tce_sort8.o tce_sortacc8.o tce_sort1.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/sort' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/sort' Making all in ducc gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ducc' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ducc' gfortran13 -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -O2 -Wuninitialized -fno-aggressive-loop-optimizations -I. -I../include -I/usr/local/include -I/usr/local/include -I/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DMPICH_NO_ATTR_TYPE_TAGS -DNOIO -DEAFHACK -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DUSE_LIBXC -DBLAS_NOTHREADS -DDEBUG_PRINT map_hcore.F gfortran13 -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -O2 -Wuninitialized -fno-aggressive-loop-optimizations -I. -I../include -I/usr/local/include -I/usr/local/include -I/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DMPICH_NO_ATTR_TYPE_TAGS -DNOIO -DEAFHACK -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DUSE_LIBXC -DBLAS_NOTHREADS -DDEBUG_PRINT rot_vir.F gfortran13 -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -O2 -Wuninitialized -fno-aggressive-loop-optimizations -I. -I../include -I/usr/local/include -I/usr/local/include -I/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DMPICH_NO_ATTR_TYPE_TAGS -DNOIO -DEAFHACK -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DUSE_LIBXC -DBLAS_NOTHREADS -DDEBUG_PRINT ducc.F gfortran13 -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -O2 -Wuninitialized -fno-aggressive-loop-optimizations -I. -I../include -I/usr/local/include -I/usr/local/include -I/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DMPICH_NO_ATTR_TYPE_TAGS -DNOIO -DEAFHACK -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DUSE_LIBXC -DBLAS_NOTHREADS -DDEBUG_PRINT hh.F gfortran13 -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -O2 -Wuninitialized -fno-aggressive-loop-optimizations -I. -I../include -I/usr/local/include -I/usr/local/include -I/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DMPICH_NO_ATTR_TYPE_TAGS -DNOIO -DEAFHACK -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DUSE_LIBXC -DBLAS_NOTHREADS -DDEBUG_PRINT hp.F gfortran13 -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -O2 -Wuninitialized -fno-aggressive-loop-optimizations -I. -I../include -I/usr/local/include -I/usr/local/include -I/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DMPICH_NO_ATTR_TYPE_TAGS -DNOIO -DEAFHACK -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DUSE_LIBXC -DBLAS_NOTHREADS -DDEBUG_PRINT pp.F gfortran13 -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -O2 -Wuninitialized -fno-aggressive-loop-optimizations -I. -I../include -I/usr/local/include -I/usr/local/include -I/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DMPICH_NO_ATTR_TYPE_TAGS -DNOIO -DEAFHACK -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DUSE_LIBXC -DBLAS_NOTHREADS -DDEBUG_PRINT hhhh.F gfortran13 -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -O2 -Wuninitialized -fno-aggressive-loop-optimizations -I. -I../include -I/usr/local/include -I/usr/local/include -I/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DMPICH_NO_ATTR_TYPE_TAGS -DNOIO -DEAFHACK -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DUSE_LIBXC -DBLAS_NOTHREADS -DDEBUG_PRINT pppp.F gfortran13 -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -O2 -Wuninitialized -fno-aggressive-loop-optimizations -I. -I../include -I/usr/local/include -I/usr/local/include -I/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DMPICH_NO_ATTR_TYPE_TAGS -DNOIO -DEAFHACK -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DUSE_LIBXC -DBLAS_NOTHREADS -DDEBUG_PRINT hhhp.F gfortran13 -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -O2 -Wuninitialized -fno-aggressive-loop-optimizations -I. -I../include -I/usr/local/include -I/usr/local/include -I/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DMPICH_NO_ATTR_TYPE_TAGS -DNOIO -DEAFHACK -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DUSE_LIBXC -DBLAS_NOTHREADS -DDEBUG_PRINT ppph.F gfortran13 -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -O2 -Wuninitialized -fno-aggressive-loop-optimizations -I. -I../include -I/usr/local/include -I/usr/local/include -I/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DMPICH_NO_ATTR_TYPE_TAGS -DNOIO -DEAFHACK -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DUSE_LIBXC -DBLAS_NOTHREADS -DDEBUG_PRINT hhpp.F gfortran13 -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -O2 -Wuninitialized -fno-aggressive-loop-optimizations -I. -I../include -I/usr/local/include -I/usr/local/include -I/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DMPICH_NO_ATTR_TYPE_TAGS -DNOIO -DEAFHACK -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DUSE_LIBXC -DBLAS_NOTHREADS -DDEBUG_PRINT hphp.F gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ducc' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ducc' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a map_hcore.o rot_vir.o ducc.o hh.o hp.o pp.o hhhh.o pppp.o hhhp.o ppph.o hhpp.o hphp.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ducc' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ducc' Making all in ucc4 gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ucc4' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ucc4' Compiling ucc4_e_new.F... Compiling ucc4_t1_new.F... Compiling ucc4_t2.F... Compiling ucc4_t2_t2_v_t.F... Compiling ucc4_t3.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ucc4' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ucc4' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a ucc4_e_new.o ucc4_t1_new.o ucc4_t2.o ucc4_t2_t2_v_t.o ucc4_t3.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ucc4' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ucc4' Making all in ccsdt gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt' Compiling ccsdt_e.F... Compiling ccsdt_t1.F... Compiling ccsdt_t2.F... Compiling ccsdt_t3.F... Compiling ccsdt_t1a.F... Compiling ccsdt_t2a.F... Compiling ccsdt_t3a.F... Compiling ccsdt_t3_1.F... Compiling ccsdt_t3_1_1.F... Compiling OFFSET_ccsdt_t3_1_1.F... Compiling ccsdt_t3_1_2.F... Compiling ccsdt_t3_1_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_1.F... Compiling ccsdt_t3_1_2_2.F... Compiling ccsdt_t3_1_2_2_1.F... Compiling OFFSET_ccsdt_t3_1_2_2_1.F... Compiling ccsdt_t3_1_2_2_2.F... Compiling ccsdt_t3_1_2_3.F... Compiling ccsdt_t3_1_3.F... Compiling ccsdt_t3_1_3_1.F... Compiling OFFSET_ccsdt_t3_1_3_1.F... Compiling ccsdt_t3_1_3_2.F... Compiling ccsdt_t3_1_4.F... Compiling ccsdt_t3_1_4_1.F... Compiling OFFSET_ccsdt_t3_1_4_1.F... Compiling ccsdt_t3_1_4_2.F... Compiling ccsdt_t3_1_5.F... Compiling ccsdt_t3_1_5_1.F... Compiling OFFSET_ccsdt_t3_1_5_1.F... Compiling ccsdt_t3_1_5_2.F... Compiling ccsdt_t3_1_6.F... Compiling ccsdt_t3_1_7.F... Compiling ccsdt_t3_2.F... Compiling ccsdt_t3_2_1.F... Compiling OFFSET_ccsdt_t3_2_1.F... Compiling ccsdt_t3_2_2.F... Compiling ccsdt_t3_2_3.F... Compiling ccsdt_t3_2_3_1.F... Compiling OFFSET_ccsdt_t3_2_3_1.F... Compiling ccsdt_t3_2_3_2.F... Compiling ccsdt_t3_2_4.F... Compiling ccsdt_t3_2_5.F... Compiling ccsdt_t3_3.F... Compiling ccsdt_t3_3_1.F... Compiling OFFSET_ccsdt_t3_3_1.F... Compiling ccsdt_t3_3_2.F... Compiling ccsdt_t3_3_2_1.F... Compiling OFFSET_ccsdt_t3_3_2_1.F... Compiling ccsdt_t3_3_2_2.F... Compiling ccsdt_t3_3_3.F... Compiling ccsdt_t3_3_4.F... Compiling ccsdt_t3_4.F... Compiling ccsdt_t3_4_1.F... Compiling OFFSET_ccsdt_t3_4_1.F... Compiling ccsdt_t3_4_2.F... Compiling ccsdt_t3_4_3.F... Compiling ccsdt_t3_5.F... Compiling ccsdt_t3_5_1.F... Compiling OFFSET_ccsdt_t3_5_1.F... Compiling ccsdt_t3_5_2.F... Compiling ccsdt_t3_5_2_1.F... Compiling OFFSET_ccsdt_t3_5_2_1.F... Compiling ccsdt_t3_5_2_2.F... Compiling ccsdt_t3_5_3.F... Compiling ccsdt_t3_6.F... Compiling ccsdt_t3_6_1.F... Compiling OFFSET_ccsdt_t3_6_1.F... Compiling ccsdt_t3_6_2.F... Compiling ccsdt_t3_6_3.F... Compiling ccsdt_t3_7.F... Compiling ccsdt_t3_8.F... Compiling ccsdt_t3_8_1.F... Compiling OFFSET_ccsdt_t3_8_1.F... Compiling ccsdt_t3_8_1_1.F... Compiling OFFSET_ccsdt_t3_8_1_1.F... Compiling ccsdt_t3_8_1_2.F... Compiling ccsdt_t3_8_1_2_1.F... Compiling OFFSET_ccsdt_t3_8_1_2_1.F... Compiling ccsdt_t3_8_1_2_2.F... Compiling ccsdt_t3_8_1_3.F... Compiling ccsdt_t3_8_1_4.F... Compiling ccsdt_t3_8_2.F... Compiling ccsdt_t3_8_2_1.F... Compiling OFFSET_ccsdt_t3_8_2_1.F... Compiling ccsdt_t3_8_2_2.F... Compiling ccsdt_t3_8_3.F... Compiling ccsdt_t3_8_3_1.F... Compiling OFFSET_ccsdt_t3_8_3_1.F... Compiling ccsdt_t3_8_3_2.F... Compiling ccsdt_t3_8_4.F... Compiling ccsdt_t3_8_5.F... Compiling ccsdt_t3_8_5_1.F... Compiling OFFSET_ccsdt_t3_8_5_1.F... Compiling ccsdt_t3_9.F... Compiling ccsdt_t3_9_1.F... Compiling OFFSET_ccsdt_t3_9_1.F... Compiling ccsdt_t3a_1.F... Compiling ccsdt_t3a_1_1.F... Compiling OFFSET_ccsdt_t3a_1_1.F... Compiling ccsdt_t3a_1_2.F... Compiling ccsdt_t3a_1_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_1.F... Compiling ccsdt_t3a_1_2_2.F... Compiling ccsdt_t3a_1_2_2_1.F... Compiling OFFSET_ccsdt_t3a_1_2_2_1.F... Compiling ccsdt_t3a_1_2_2_2.F... Compiling ccsdt_t3a_1_2_3.F... Compiling ccsdt_t3a_1_3.F... Compiling ccsdt_t3a_1_3_1.F... Compiling OFFSET_ccsdt_t3a_1_3_1.F... Compiling ccsdt_t3a_1_3_2.F... Compiling ccsdt_t3a_1_4.F... Compiling ccsdt_t3a_1_4_1.F... Compiling OFFSET_ccsdt_t3a_1_4_1.F... Compiling ccsdt_t3a_1_4_2.F... Compiling ccsdt_t3a_1_5.F... Compiling ccsdt_t3a_1_5_1.F... Compiling OFFSET_ccsdt_t3a_1_5_1.F... Compiling ccsdt_t3a_1_5_2.F... Compiling ccsdt_t3a_1_6.F... Compiling ccsdt_t3a_1_7.F... Compiling ccsdt_t3a_2.F... Compiling ccsdt_t3a_2_1.F... Compiling OFFSET_ccsdt_t3a_2_1.F... Compiling ccsdt_t3a_2_2.F... Compiling ccsdt_t3a_2_3.F... Compiling ccsdt_t3a_2_3_1.F... Compiling OFFSET_ccsdt_t3a_2_3_1.F... Compiling ccsdt_t3a_2_3_2.F... Compiling ccsdt_t3a_2_4.F... Compiling ccsdt_t3a_2_5.F... Compiling ccsdt_t3a_3.F... Compiling ccsdt_t3a_3_1.F... Compiling OFFSET_ccsdt_t3a_3_1.F... Compiling ccsdt_t3a_3_2.F... Compiling ccsdt_t3a_3_2_1.F... Compiling OFFSET_ccsdt_t3a_3_2_1.F... Compiling ccsdt_t3a_3_2_2.F... Compiling ccsdt_t3a_3_3.F... Compiling ccsdt_t3a_3_4.F... Compiling ccsdt_t3a_4.F... Compiling ccsdt_t3a_4_1.F... Compiling OFFSET_ccsdt_t3a_4_1.F... Compiling ccsdt_t3a_4_2.F... Compiling ccsdt_t3a_4_3.F... Compiling ccsdt_t3a_5.F... Compiling ccsdt_t3a_5_1.F... Compiling OFFSET_ccsdt_t3a_5_1.F... Compiling ccsdt_t3a_5_2.F... Compiling ccsdt_t3a_5_2_1.F... Compiling OFFSET_ccsdt_t3a_5_2_1.F... Compiling ccsdt_t3a_5_2_2.F... Compiling ccsdt_t3a_5_3.F... Compiling ccsdt_t3a_6.F... Compiling ccsdt_t3a_6_1.F... Compiling OFFSET_ccsdt_t3a_6_1.F... Compiling ccsdt_t3a_6_2.F... Compiling ccsdt_t3a_6_3.F... Compiling ccsdt_t3a_7.F... Compiling ccsdt_t3a_8.F... Compiling ccsdt_t3a_8_1.F... Compiling OFFSET_ccsdt_t3a_8_1.F... Compiling ccsdt_t3a_8_1_1.F... Compiling OFFSET_ccsdt_t3a_8_1_1.F... Compiling ccsdt_t3a_8_1_2.F... Compiling ccsdt_t3a_8_1_2_1.F... Compiling OFFSET_ccsdt_t3a_8_1_2_1.F... Compiling ccsdt_t3a_8_1_2_2.F... Compiling ccsdt_t3a_8_1_3.F... Compiling ccsdt_t3a_8_1_4.F... Compiling ccsdt_t3a_8_2.F... Compiling ccsdt_t3a_8_2_1.F... Compiling OFFSET_ccsdt_t3a_8_2_1.F... Compiling ccsdt_t3a_8_2_2.F... Compiling ccsdt_t3a_8_3.F... Compiling ccsdt_t3a_8_3_1.F... Compiling OFFSET_ccsdt_t3a_8_3_1.F... Compiling ccsdt_t3a_8_3_2.F... Compiling ccsdt_t3a_8_4.F... Compiling ccsdt_t3a_8_5.F... Compiling ccsdt_t3a_8_5_1.F... Compiling OFFSET_ccsdt_t3a_8_5_1.F... Compiling ccsdt_t3a_9.F... Compiling ccsdt_t3a_9_1.F... Compiling OFFSET_ccsdt_t3a_9_1.F... Compiling acolo.F... Compiling acolo_o.F... Compiling acolo_o_1p.F... Compiling acolo_o_2p.F... Compiling acolo_1p_2h.F... Compiling acolo_2h.F... Compiling acolo_1h.F... Compiling acolo_1p_1h.F... Compiling acolo_2p_1h.F... Compiling acolo_1p.F... Compiling acolo_1a_2h.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a ccsdt_e.o ccsdt_t1.o ccsdt_t2.o ccsdt_t3.o ccsdt_t1a.o ccsdt_t2a.o ccsdt_t3a.o ccsdt_t3_1.o ccsdt_t3_1_1.o OFFSET_ccsdt_t3_1_1.o ccsdt_t3_1_2.o ccsdt_t3_1_2_1.o OFFSET_ccsdt_t3_1_2_1.o ccsdt_t3_1_2_2.o ccsdt_t3_1_2_2_1.o OFFSET_ccsdt_t3_1_2_2_1.o ccsdt_t3_1_2_2_2.o ccsdt_t3_1_2_3.o ccsdt_t3_1_3.o ccsdt_t3_1_3_1.o OFFSET_ccsdt_t3_1_3_1.o ccsdt_t3_1_3_2.o ccsdt_t3_1_4.o ccsdt_t3_1_4_1.o OFFSET_ccsdt_t3_1_4_1.o ccsdt_t3_1_4_2.o ccsdt_t3_1_5.o ccsdt_t3_1_5_1.o OFFSET_ccsdt_t3_1_5_1.o ccsdt_t3_1_5_2.o ccsdt_t3_1_6.o ccsdt_t3_1_7.o ccsdt_t3_2.o ccsdt_t3_2_1.o OFFSET_ccsdt_t3_2_1.o ccsdt_t3_2_2.o ccsdt_t3_2_3.o ccsdt_t3_2_3_1.o OFFSET_ccsdt_t3_2_3_1.o ccsdt_t3_2_3_2.o ccsdt_t3_2_4.o ccsdt_t3_2_5.o ccsdt_t3_3.o ccsdt_t3_3_1.o OFFSET_ccsdt_t3_3_1.o ccsdt_t3_3_2.o ccsdt_t3_3_2_1.o OFFSET_ccsdt_t3_3_2_1.o ccsdt_t3_3_2_2.o ccsdt_t3_3_3.o ccsdt_t3_3_4.o ccsdt_t3_4.o ccsdt_t3_4_1.o OFFSET_ccsdt_t3_4_1.o ccsdt_t3_4_2.o ccsdt_t3_4_3.o ccsdt_t3_5.o ccsdt_t3_5_1.o OFFSET_ccsdt_t3_5_1.o ccsdt_t3_5_2.o ccsdt_t3_5_2_1.o OFFSET_ccsdt_t3_5_2_1.o ccsdt_t3_5_2_2.o ccsdt_t3_5_3.o ccsdt_t3_6.o ccsdt_t3_6_1.o OFFSET_ccsdt_t3_6_1.o ccsdt_t3_6_2.o ccsdt_t3_6_3.o ccsdt_t3_7.o ccsdt_t3_8.o ccsdt_t3_8_1.o OFFSET_ccsdt_t3_8_1.o ccsdt_t3_8_1_1.o OFFSET_ccsdt_t3_8_1_1.o ccsdt_t3_8_1_2.o ccsdt_t3_8_1_2_1.o OFFSET_ccsdt_t3_8_1_2_1.o ccsdt_t3_8_1_2_2.o ccsdt_t3_8_1_3.o ccsdt_t3_8_1_4.o ccsdt_t3_8_2.o ccsdt_t3_8_2_1.o OFFSET_ccsdt_t3_8_2_1.o ccsdt_t3_8_2_2.o ccsdt_t3_8_3.o ccsdt_t3_8_3_1.o OFFSET_ccsdt_t3_8_3_1.o ccsdt_t3_8_3_2.o ccsdt_t3_8_4.o ccsdt_t3_8_5.o ccsdt_t3_8_5_1.o OFFSET_ccsdt_t3_8_5_1.o ccsdt_t3_9.o ccsdt_t3_9_1.o OFFSET_ccsdt_t3_9_1.o ccsdt_t3a_1.o ccsdt_t3a_1_1.o OFFSET_ccsdt_t3a_1_1.o ccsdt_t3a_1_2.o ccsdt_t3a_1_2_1.o OFFSET_ccsdt_t3a_1_2_1.o ccsdt_t3a_1_2_2.o ccsdt_t3a_1_2_2_1.o OFFSET_ccsdt_t3a_1_2_2_1.o ccsdt_t3a_1_2_2_2.o ccsdt_t3a_1_2_3.o ccsdt_t3a_1_3.o ccsdt_t3a_1_3_1.o OFFSET_ccsdt_t3a_1_3_1.o ccsdt_t3a_1_3_2.o ccsdt_t3a_1_4.o ccsdt_t3a_1_4_1.o OFFSET_ccsdt_t3a_1_4_1.o ccsdt_t3a_1_4_2.o ccsdt_t3a_1_5.o ccsdt_t3a_1_5_1.o OFFSET_ccsdt_t3a_1_5_1.o ccsdt_t3a_1_5_2.o ccsdt_t3a_1_6.o ccsdt_t3a_1_7.o ccsdt_t3a_2.o ccsdt_t3a_2_1.o OFFSET_ccsdt_t3a_2_1.o ccsdt_t3a_2_2.o ccsdt_t3a_2_3.o ccsdt_t3a_2_3_1.o OFFSET_ccsdt_t3a_2_3_1.o ccsdt_t3a_2_3_2.o ccsdt_t3a_2_4.o ccsdt_t3a_2_5.o ccsdt_t3a_3.o ccsdt_t3a_3_1.o OFFSET_ccsdt_t3a_3_1.o ccsdt_t3a_3_2.o ccsdt_t3a_3_2_1.o OFFSET_ccsdt_t3a_3_2_1.o ccsdt_t3a_3_2_2.o ccsdt_t3a_3_3.o ccsdt_t3a_3_4.o ccsdt_t3a_4.o ccsdt_t3a_4_1.o OFFSET_ccsdt_t3a_4_1.o ccsdt_t3a_4_2.o ccsdt_t3a_4_3.o ccsdt_t3a_5.o ccsdt_t3a_5_1.o OFFSET_ccsdt_t3a_5_1.o ccsdt_t3a_5_2.o ccsdt_t3a_5_2_1.o OFFSET_ccsdt_t3a_5_2_1.o ccsdt_t3a_5_2_2.o ccsdt_t3a_5_3.o ccsdt_t3a_6.o ccsdt_t3a_6_1.o OFFSET_ccsdt_t3a_6_1.o ccsdt_t3a_6_2.o ccsdt_t3a_6_3.o ccsdt_t3a_7.o ccsdt_t3a_8.o ccsdt_t3a_8_1.o OFFSET_ccsdt_t3a_8_1.o ccsdt_t3a_8_1_1.o OFFSET_ccsdt_t3a_8_1_1.o ccsdt_t3a_8_1_2.o ccsdt_t3a_8_1_2_1.o OFFSET_ccsdt_t3a_8_1_2_1.o ccsdt_t3a_8_1_2_2.o ccsdt_t3a_8_1_3.o ccsdt_t3a_8_1_4.o ccsdt_t3a_8_2.o ccsdt_t3a_8_2_1.o OFFSET_ccsdt_t3a_8_2_1.o ccsdt_t3a_8_2_2.o ccsdt_t3a_8_3.o ccsdt_t3a_8_3_1.o OFFSET_ccsdt_t3a_8_3_1.o ccsdt_t3a_8_3_2.o ccsdt_t3a_8_4.o ccsdt_t3a_8_5.o ccsdt_t3a_8_5_1.o OFFSET_ccsdt_t3a_8_5_1.o ccsdt_t3a_9.o ccsdt_t3a_9_1.o OFFSET_ccsdt_t3a_9_1.o acolo.o acolo_o.o acolo_o_1p.o acolo_o_2p.o acolo_1p_2h.o acolo_2h.o acolo_1h.o acolo_1p_1h.o acolo_2p_1h.o acolo_1p.o acolo_1a_2h.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt' Making all in ccsdt_lambda gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt_lambda' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt_lambda' Compiling ccsdt_lambda3.F... Compiling ccsdt_density1.F... Compiling ccsdt_lambda1.F... Compiling ccsdt_lambda1_1.F... Compiling ccsdt_lambda1_2.F... Compiling ccsdt_lambda1_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_1.F... Compiling ccsdt_lambda1_2_2.F... Compiling ccsdt_lambda1_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_2_2_1.F... Compiling ccsdt_lambda1_2_2_2.F... Compiling ccsdt_lambda1_2_3.F... Compiling ccsdt_lambda1_2_4.F... Compiling ccsdt_lambda1_3.F... Compiling ccsdt_lambda1_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_1.F... Compiling ccsdt_lambda1_3_2.F... Compiling ccsdt_lambda1_3_3.F... Compiling ccsdt_lambda1_3_3_1.F... Compiling OFFSET_ccsdt_lambda1_3_3_1.F... Compiling ccsdt_lambda1_4.F... Compiling ccsdt_lambda1_5.F... Compiling ccsdt_lambda1_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_1.F... Compiling ccsdt_lambda1_5_2.F... Compiling ccsdt_lambda1_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_1.F... Compiling ccsdt_lambda1_5_2_2.F... Compiling ccsdt_lambda1_5_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_5_2_2_1.F... Compiling ccsdt_lambda1_5_2_2_2.F... Compiling ccsdt_lambda1_5_2_3.F... Compiling ccsdt_lambda1_5_2_4.F... Compiling ccsdt_lambda1_5_3.F... Compiling ccsdt_lambda1_5_3_1.F... Compiling OFFSET_ccsdt_lambda1_5_3_1.F... Compiling ccsdt_lambda1_5_3_2.F... Compiling ccsdt_lambda1_5_4.F... Compiling ccsdt_lambda1_5_5.F... Compiling ccsdt_lambda1_5_5_1.F... Compiling OFFSET_ccsdt_lambda1_5_5_1.F... Compiling ccsdt_lambda1_5_5_2.F... Compiling ccsdt_lambda1_5_6.F... Compiling ccsdt_lambda1_5_6_1.F... Compiling OFFSET_ccsdt_lambda1_5_6_1.F... Compiling ccsdt_lambda1_5_6_2.F... Compiling ccsdt_lambda1_5_7.F... Compiling ccsdt_lambda1_5_8.F... Compiling ccsdt_lambda1_6.F... Compiling ccsdt_lambda1_6_1.F... Compiling OFFSET_ccsdt_lambda1_6_1.F... Compiling ccsdt_lambda1_6_2.F... Compiling ccsdt_lambda1_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_1.F... Compiling ccsdt_lambda1_6_2_2.F... Compiling ccsdt_lambda1_6_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_6_2_2_1.F... Compiling ccsdt_lambda1_6_2_2_2.F... Compiling ccsdt_lambda1_6_2_3.F... Compiling ccsdt_lambda1_6_3.F... Compiling ccsdt_lambda1_6_3_1.F... Compiling OFFSET_ccsdt_lambda1_6_3_1.F... Compiling ccsdt_lambda1_6_3_2.F... Compiling ccsdt_lambda1_6_4.F... Compiling ccsdt_lambda1_6_4_1.F... Compiling OFFSET_ccsdt_lambda1_6_4_1.F... Compiling ccsdt_lambda1_6_4_2.F... Compiling ccsdt_lambda1_6_5.F... Compiling ccsdt_lambda1_6_5_1.F... Compiling OFFSET_ccsdt_lambda1_6_5_1.F... Compiling ccsdt_lambda1_6_5_2.F... Compiling ccsdt_lambda1_6_6.F... Compiling ccsdt_lambda1_6_7.F... Compiling ccsdt_lambda1_7.F... Compiling ccsdt_lambda1_7_1.F... Compiling OFFSET_ccsdt_lambda1_7_1.F... Compiling ccsdt_lambda1_7_2.F... Compiling ccsdt_lambda1_8.F... Compiling ccsdt_lambda1_8_1.F... Compiling OFFSET_ccsdt_lambda1_8_1.F... Compiling ccsdt_lambda1_8_2.F... Compiling ccsdt_lambda1_8_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_1.F... Compiling ccsdt_lambda1_8_2_2.F... Compiling ccsdt_lambda1_8_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_2_1.F... Compiling ccsdt_lambda1_8_2_2_2_2.F... Compiling ccsdt_lambda1_8_2_2_3.F... Compiling ccsdt_lambda1_8_2_3.F... Compiling ccsdt_lambda1_8_2_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_3_1.F... Compiling ccsdt_lambda1_8_2_3_2.F... Compiling ccsdt_lambda1_8_2_4.F... Compiling ccsdt_lambda1_8_2_5.F... Compiling ccsdt_lambda1_8_2_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_5_1.F... Compiling ccsdt_lambda1_8_3.F... Compiling ccsdt_lambda1_8_3_1.F... Compiling OFFSET_ccsdt_lambda1_8_3_1.F... Compiling ccsdt_lambda1_8_3_2.F... Compiling ccsdt_lambda1_8_4.F... Compiling ccsdt_lambda1_8_4_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_1.F... Compiling ccsdt_lambda1_8_4_2.F... Compiling ccsdt_lambda1_8_4_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_4_2_1.F... Compiling ccsdt_lambda1_8_5.F... Compiling ccsdt_lambda1_8_5_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_1.F... Compiling ccsdt_lambda1_8_5_2.F... Compiling ccsdt_lambda1_8_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_5_2_1.F... Compiling ccsdt_lambda1_8_6.F... Compiling ccsdt_lambda1_8_6_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_1.F... Compiling ccsdt_lambda1_8_6_2.F... Compiling ccsdt_lambda1_8_6_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_6_2_1.F... Compiling ccsdt_lambda1_8_6_2_2.F... Compiling ccsdt_lambda1_8_6_3.F... Compiling ccsdt_lambda1_8_7.F... Compiling ccsdt_lambda1_8_7_1.F... Compiling OFFSET_ccsdt_lambda1_8_7_1.F... Compiling ccsdt_lambda1_8_7_2.F... Compiling ccsdt_lambda1_8_7_3.F... Compiling ccsdt_lambda1_8_8.F... Compiling ccsdt_lambda1_8_9.F... Compiling ccsdt_lambda1_8_9_1.F... Compiling OFFSET_ccsdt_lambda1_8_9_1.F... Compiling ccsdt_lambda1_8_9_2.F... Compiling ccsdt_lambda1_8_10.F... Compiling ccsdt_lambda1_8_10_1.F... Compiling OFFSET_ccsdt_lambda1_8_10_1.F... Compiling ccsdt_lambda1_8_10_2.F... Compiling ccsdt_lambda1_8_11.F... Compiling ccsdt_lambda1_8_12.F... Compiling ccsdt_lambda1_8_12_1.F... Compiling OFFSET_ccsdt_lambda1_8_12_1.F... Compiling ccsdt_lambda1_8_12_2.F... Compiling ccsdt_lambda1_8_12_3.F... Compiling ccsdt_lambda1_8_13.F... Compiling ccsdt_lambda1_8_13_1.F... Compiling OFFSET_ccsdt_lambda1_8_13_1.F... Compiling ccsdt_lambda1_8_13_2.F... Compiling ccsdt_lambda1_8_13_3.F... Compiling ccsdt_lambda1_8_14.F... Compiling ccsdt_lambda1_8_14_1.F... Compiling OFFSET_ccsdt_lambda1_8_14_1.F... Compiling ccsdt_lambda1_8_14_2.F... Compiling ccsdt_lambda1_9.F... Compiling ccsdt_lambda1_9_1.F... Compiling OFFSET_ccsdt_lambda1_9_1.F... Compiling ccsdt_lambda1_9_2.F... Compiling ccsdt_lambda1_9_3.F... Compiling ccsdt_lambda1_9_4.F... Compiling ccsdt_lambda1_9_4_1.F... Compiling OFFSET_ccsdt_lambda1_9_4_1.F... Compiling ccsdt_lambda1_9_4_2.F... Compiling ccsdt_lambda1_9_4_3.F... Compiling ccsdt_lambda1_9_5.F... Compiling ccsdt_lambda1_9_5_1.F... Compiling OFFSET_ccsdt_lambda1_9_5_1.F... Compiling ccsdt_lambda1_9_5_2.F... Compiling ccsdt_lambda1_9_5_2_1.F... Compiling OFFSET_ccsdt_lambda1_9_5_2_1.F... Compiling ccsdt_lambda1_9_5_2_2.F... Compiling ccsdt_lambda1_9_6.F... Compiling ccsdt_lambda1_9_6_1.F... Compiling OFFSET_ccsdt_lambda1_9_6_1.F... Compiling ccsdt_lambda1_10.F... Compiling ccsdt_lambda1_10_1.F... Compiling OFFSET_ccsdt_lambda1_10_1.F... Compiling ccsdt_lambda1_10_2.F... Compiling ccsdt_lambda1_10_3.F... Compiling ccsdt_lambda1_11.F... Compiling ccsdt_lambda1_11_1.F... Compiling OFFSET_ccsdt_lambda1_11_1.F... Compiling ccsdt_lambda1_11_2.F... Compiling ccsdt_lambda1_11_3.F... Compiling ccsdt_lambda1_12.F... Compiling ccsdt_lambda1_12_1.F... Compiling OFFSET_ccsdt_lambda1_12_1.F... Compiling ccsdt_lambda1_12_2.F... Compiling ccsdt_lambda1_12_3.F... Compiling ccsdt_lambda1_13.F... Compiling ccsdt_lambda1_13_1.F... Compiling OFFSET_ccsdt_lambda1_13_1.F... 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Compiling OFFSET_ccsdt_lambda2_26_2_1_1.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt_lambda' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt_lambda' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a ccsdt_lambda3.o ccsdt_density1.o ccsdt_lambda1.o ccsdt_lambda1_1.o ccsdt_lambda1_2.o ccsdt_lambda1_2_1.o OFFSET_ccsdt_lambda1_2_1.o ccsdt_lambda1_2_2.o ccsdt_lambda1_2_2_1.o OFFSET_ccsdt_lambda1_2_2_1.o ccsdt_lambda1_2_2_2.o ccsdt_lambda1_2_3.o ccsdt_lambda1_2_4.o ccsdt_lambda1_3.o ccsdt_lambda1_3_1.o OFFSET_ccsdt_lambda1_3_1.o ccsdt_lambda1_3_2.o ccsdt_lambda1_3_3.o ccsdt_lambda1_3_3_1.o OFFSET_ccsdt_lambda1_3_3_1.o ccsdt_lambda1_4.o ccsdt_lambda1_5.o ccsdt_lambda1_5_1.o OFFSET_ccsdt_lambda1_5_1.o ccsdt_lambda1_5_2.o ccsdt_lambda1_5_2_1.o OFFSET_ccsdt_lambda1_5_2_1.o ccsdt_lambda1_5_2_2.o ccsdt_lambda1_5_2_2_1.o OFFSET_ccsdt_lambda1_5_2_2_1.o ccsdt_lambda1_5_2_2_2.o ccsdt_lambda1_5_2_3.o ccsdt_lambda1_5_2_4.o ccsdt_lambda1_5_3.o ccsdt_lambda1_5_3_1.o OFFSET_ccsdt_lambda1_5_3_1.o ccsdt_lambda1_5_3_2.o ccsdt_lambda1_5_4.o ccsdt_lambda1_5_5.o ccsdt_lambda1_5_5_1.o OFFSET_ccsdt_lambda1_5_5_1.o ccsdt_lambda1_5_5_2.o ccsdt_lambda1_5_6.o ccsdt_lambda1_5_6_1.o OFFSET_ccsdt_lambda1_5_6_1.o ccsdt_lambda1_5_6_2.o ccsdt_lambda1_5_7.o ccsdt_lambda1_5_8.o ccsdt_lambda1_6.o ccsdt_lambda1_6_1.o OFFSET_ccsdt_lambda1_6_1.o ccsdt_lambda1_6_2.o ccsdt_lambda1_6_2_1.o OFFSET_ccsdt_lambda1_6_2_1.o ccsdt_lambda1_6_2_2.o ccsdt_lambda1_6_2_2_1.o OFFSET_ccsdt_lambda1_6_2_2_1.o ccsdt_lambda1_6_2_2_2.o ccsdt_lambda1_6_2_3.o ccsdt_lambda1_6_3.o ccsdt_lambda1_6_3_1.o OFFSET_ccsdt_lambda1_6_3_1.o ccsdt_lambda1_6_3_2.o ccsdt_lambda1_6_4.o ccsdt_lambda1_6_4_1.o OFFSET_ccsdt_lambda1_6_4_1.o ccsdt_lambda1_6_4_2.o ccsdt_lambda1_6_5.o ccsdt_lambda1_6_5_1.o OFFSET_ccsdt_lambda1_6_5_1.o ccsdt_lambda1_6_5_2.o ccsdt_lambda1_6_6.o ccsdt_lambda1_6_7.o ccsdt_lambda1_7.o ccsdt_lambda1_7_1.o OFFSET_ccsdt_lambda1_7_1.o ccsdt_lambda1_7_2.o ccsdt_lambda1_8.o ccsdt_lambda1_8_1.o OFFSET_ccsdt_lambda1_8_1.o ccsdt_lambda1_8_2.o ccsdt_lambda1_8_2_1.o OFFSET_ccsdt_lambda1_8_2_1.o ccsdt_lambda1_8_2_2.o ccsdt_lambda1_8_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_1.o ccsdt_lambda1_8_2_2_2.o ccsdt_lambda1_8_2_2_2_1.o OFFSET_ccsdt_lambda1_8_2_2_2_1.o ccsdt_lambda1_8_2_2_2_2.o ccsdt_lambda1_8_2_2_3.o ccsdt_lambda1_8_2_3.o ccsdt_lambda1_8_2_3_1.o OFFSET_ccsdt_lambda1_8_2_3_1.o ccsdt_lambda1_8_2_3_2.o ccsdt_lambda1_8_2_4.o ccsdt_lambda1_8_2_5.o ccsdt_lambda1_8_2_5_1.o OFFSET_ccsdt_lambda1_8_2_5_1.o ccsdt_lambda1_8_3.o ccsdt_lambda1_8_3_1.o OFFSET_ccsdt_lambda1_8_3_1.o ccsdt_lambda1_8_3_2.o ccsdt_lambda1_8_4.o ccsdt_lambda1_8_4_1.o OFFSET_ccsdt_lambda1_8_4_1.o ccsdt_lambda1_8_4_2.o ccsdt_lambda1_8_4_2_1.o OFFSET_ccsdt_lambda1_8_4_2_1.o ccsdt_lambda1_8_5.o ccsdt_lambda1_8_5_1.o OFFSET_ccsdt_lambda1_8_5_1.o ccsdt_lambda1_8_5_2.o ccsdt_lambda1_8_5_2_1.o OFFSET_ccsdt_lambda1_8_5_2_1.o ccsdt_lambda1_8_6.o ccsdt_lambda1_8_6_1.o OFFSET_ccsdt_lambda1_8_6_1.o ccsdt_lambda1_8_6_2.o ccsdt_lambda1_8_6_2_1.o OFFSET_ccsdt_lambda1_8_6_2_1.o ccsdt_lambda1_8_6_2_2.o ccsdt_lambda1_8_6_3.o ccsdt_lambda1_8_7.o ccsdt_lambda1_8_7_1.o OFFSET_ccsdt_lambda1_8_7_1.o ccsdt_lambda1_8_7_2.o ccsdt_lambda1_8_7_3.o ccsdt_lambda1_8_8.o ccsdt_lambda1_8_9.o ccsdt_lambda1_8_9_1.o OFFSET_ccsdt_lambda1_8_9_1.o ccsdt_lambda1_8_9_2.o ccsdt_lambda1_8_10.o ccsdt_lambda1_8_10_1.o OFFSET_ccsdt_lambda1_8_10_1.o ccsdt_lambda1_8_10_2.o ccsdt_lambda1_8_11.o ccsdt_lambda1_8_12.o ccsdt_lambda1_8_12_1.o OFFSET_ccsdt_lambda1_8_12_1.o ccsdt_lambda1_8_12_2.o ccsdt_lambda1_8_12_3.o ccsdt_lambda1_8_13.o ccsdt_lambda1_8_13_1.o OFFSET_ccsdt_lambda1_8_13_1.o ccsdt_lambda1_8_13_2.o ccsdt_lambda1_8_13_3.o ccsdt_lambda1_8_14.o ccsdt_lambda1_8_14_1.o OFFSET_ccsdt_lambda1_8_14_1.o ccsdt_lambda1_8_14_2.o ccsdt_lambda1_9.o ccsdt_lambda1_9_1.o OFFSET_ccsdt_lambda1_9_1.o ccsdt_lambda1_9_2.o ccsdt_lambda1_9_3.o ccsdt_lambda1_9_4.o ccsdt_lambda1_9_4_1.o OFFSET_ccsdt_lambda1_9_4_1.o ccsdt_lambda1_9_4_2.o ccsdt_lambda1_9_4_3.o ccsdt_lambda1_9_5.o ccsdt_lambda1_9_5_1.o OFFSET_ccsdt_lambda1_9_5_1.o ccsdt_lambda1_9_5_2.o ccsdt_lambda1_9_5_2_1.o OFFSET_ccsdt_lambda1_9_5_2_1.o ccsdt_lambda1_9_5_2_2.o ccsdt_lambda1_9_6.o ccsdt_lambda1_9_6_1.o OFFSET_ccsdt_lambda1_9_6_1.o ccsdt_lambda1_10.o ccsdt_lambda1_10_1.o OFFSET_ccsdt_lambda1_10_1.o ccsdt_lambda1_10_2.o ccsdt_lambda1_10_3.o ccsdt_lambda1_11.o ccsdt_lambda1_11_1.o OFFSET_ccsdt_lambda1_11_1.o ccsdt_lambda1_11_2.o ccsdt_lambda1_11_3.o ccsdt_lambda1_12.o ccsdt_lambda1_12_1.o OFFSET_ccsdt_lambda1_12_1.o ccsdt_lambda1_12_2.o ccsdt_lambda1_12_3.o ccsdt_lambda1_13.o ccsdt_lambda1_13_1.o OFFSET_ccsdt_lambda1_13_1.o ccsdt_lambda1_13_2.o ccsdt_lambda1_14.o ccsdt_lambda1_14_1.o OFFSET_ccsdt_lambda1_14_1.o ccsdt_lambda1_14_2.o ccsdt_lambda1_14_3.o ccsdt_lambda1_14_3_1.o OFFSET_ccsdt_lambda1_14_3_1.o ccsdt_lambda1_14_3_2.o ccsdt_lambda1_14_3_3.o ccsdt_lambda1_14_3_3_1.o OFFSET_ccsdt_lambda1_14_3_3_1.o ccsdt_lambda1_14_3_3_2.o ccsdt_lambda1_14_4.o ccsdt_lambda1_14_4_1.o OFFSET_ccsdt_lambda1_14_4_1.o ccsdt_lambda1_14_5.o ccsdt_lambda1_14_5_1.o OFFSET_ccsdt_lambda1_14_5_1.o ccsdt_lambda1_14_5_2.o ccsdt_lambda1_14_6.o ccsdt_lambda1_14_6_1.o OFFSET_ccsdt_lambda1_14_6_1.o ccsdt_lambda1_14_7.o ccsdt_lambda1_14_7_1.o OFFSET_ccsdt_lambda1_14_7_1.o ccsdt_lambda1_14_8.o ccsdt_lambda1_14_8_1.o OFFSET_ccsdt_lambda1_14_8_1.o ccsdt_lambda1_14_8_1_1.o OFFSET_ccsdt_lambda1_14_8_1_1.o ccsdt_lambda1_14_8_1_2.o ccsdt_lambda1_14_9.o ccsdt_lambda1_14_9_1.o OFFSET_ccsdt_lambda1_14_9_1.o ccsdt_lambda1_14_9_1_1.o OFFSET_ccsdt_lambda1_14_9_1_1.o ccsdt_lambda1_15.o ccsdt_lambda1_15_1.o OFFSET_ccsdt_lambda1_15_1.o ccsdt_lambda1_15_2.o ccsdt_lambda1_15_3.o ccsdt_lambda1_15_3_1.o OFFSET_ccsdt_lambda1_15_3_1.o ccsdt_lambda1_15_4.o ccsdt_lambda1_15_4_1.o OFFSET_ccsdt_lambda1_15_4_1.o ccsdt_lambda1_16.o ccsdt_lambda1_16_1.o OFFSET_ccsdt_lambda1_16_1.o ccsdt_lambda1_16_2.o ccsdt_lambda1_16_3.o ccsdt_lambda1_16_3_1.o OFFSET_ccsdt_lambda1_16_3_1.o ccsdt_lambda1_16_3_2.o ccsdt_lambda1_16_4.o ccsdt_lambda1_16_4_1.o OFFSET_ccsdt_lambda1_16_4_1.o ccsdt_lambda1_17.o ccsdt_lambda1_17_1.o OFFSET_ccsdt_lambda1_17_1.o ccsdt_lambda1_18.o ccsdt_lambda1_18_1.o OFFSET_ccsdt_lambda1_18_1.o ccsdt_lambda1_18_1_1.o OFFSET_ccsdt_lambda1_18_1_1.o ccsdt_lambda1_18_1_2.o ccsdt_lambda1_18_1_3.o ccsdt_lambda1_18_1_4.o ccsdt_lambda1_18_1_4_1.o OFFSET_ccsdt_lambda1_18_1_4_1.o ccsdt_lambda1_18_1_4_2.o ccsdt_lambda1_18_2.o ccsdt_lambda1_18_2_1.o OFFSET_ccsdt_lambda1_18_2_1.o ccsdt_lambda1_18_2_2.o ccsdt_lambda1_18_3.o ccsdt_lambda1_18_3_1.o OFFSET_ccsdt_lambda1_18_3_1.o ccsdt_lambda1_18_3_2.o ccsdt_lambda1_18_4.o ccsdt_lambda1_18_5.o ccsdt_lambda1_18_5_1.o OFFSET_ccsdt_lambda1_18_5_1.o ccsdt_lambda1_18_6.o ccsdt_lambda1_18_6_1.o OFFSET_ccsdt_lambda1_18_6_1.o ccsdt_lambda1_18_6_1_1.o OFFSET_ccsdt_lambda1_18_6_1_1.o ccsdt_lambda1_19.o ccsdt_lambda1_19_1.o OFFSET_ccsdt_lambda1_19_1.o ccsdt_lambda1_20.o ccsdt_lambda1_20_1.o OFFSET_ccsdt_lambda1_20_1.o ccsdt_lambda1_20_1_1.o OFFSET_ccsdt_lambda1_20_1_1.o ccsdt_lambda1_21.o ccsdt_lambda1_21_1.o OFFSET_ccsdt_lambda1_21_1.o ccsdt_lambda1_21_1_1.o OFFSET_ccsdt_lambda1_21_1_1.o ccsdt_lambda1_21_1_1_1.o OFFSET_ccsdt_lambda1_21_1_1_1.o ccsdt_lambda1_21_1_1_2.o ccsdt_lambda1_21_2.o ccsdt_lambda1_21_2_1.o OFFSET_ccsdt_lambda1_21_2_1.o ccsdt_lambda1_21_2_1_1.o OFFSET_ccsdt_lambda1_21_2_1_1.o ccsdt_lambda2.o ccsdt_lambda2_1.o ccsdt_lambda2_2.o ccsdt_lambda2_2_1.o OFFSET_ccsdt_lambda2_2_1.o ccsdt_lambda2_2_2.o ccsdt_lambda2_3.o ccsdt_lambda2_3_1.o OFFSET_ccsdt_lambda2_3_1.o ccsdt_lambda2_3_2.o ccsdt_lambda2_4.o ccsdt_lambda2_5.o ccsdt_lambda2_5_1.o OFFSET_ccsdt_lambda2_5_1.o ccsdt_lambda2_5_2.o ccsdt_lambda2_5_2_1.o OFFSET_ccsdt_lambda2_5_2_1.o ccsdt_lambda2_5_2_2.o ccsdt_lambda2_5_3.o ccsdt_lambda2_5_4.o ccsdt_lambda2_6.o ccsdt_lambda2_6_1.o OFFSET_ccsdt_lambda2_6_1.o ccsdt_lambda2_6_2.o ccsdt_lambda2_6_3.o ccsdt_lambda2_6_4.o ccsdt_lambda2_6_4_1.o OFFSET_ccsdt_lambda2_6_4_1.o ccsdt_lambda2_7.o ccsdt_lambda2_7_1.o OFFSET_ccsdt_lambda2_7_1.o ccsdt_lambda2_7_2.o ccsdt_lambda2_7_2_1.o OFFSET_ccsdt_lambda2_7_2_1.o ccsdt_lambda2_7_2_2.o ccsdt_lambda2_7_3.o ccsdt_lambda2_8.o ccsdt_lambda2_8_1.o OFFSET_ccsdt_lambda2_8_1.o ccsdt_lambda2_8_2.o ccsdt_lambda2_8_3.o ccsdt_lambda2_9.o ccsdt_lambda2_10.o ccsdt_lambda2_10_1.o OFFSET_ccsdt_lambda2_10_1.o ccsdt_lambda2_10_2.o ccsdt_lambda2_10_2_1.o OFFSET_ccsdt_lambda2_10_2_1.o ccsdt_lambda2_10_2_2.o ccsdt_lambda2_10_2_2_1.o OFFSET_ccsdt_lambda2_10_2_2_1.o ccsdt_lambda2_10_2_2_2.o ccsdt_lambda2_10_2_3.o ccsdt_lambda2_10_2_4.o ccsdt_lambda2_10_3.o ccsdt_lambda2_10_3_1.o OFFSET_ccsdt_lambda2_10_3_1.o ccsdt_lambda2_10_3_2.o ccsdt_lambda2_10_3_3.o ccsdt_lambda2_10_4.o ccsdt_lambda2_10_5.o ccsdt_lambda2_10_5_1.o OFFSET_ccsdt_lambda2_10_5_1.o ccsdt_lambda2_10_5_2.o ccsdt_lambda2_10_6.o ccsdt_lambda2_10_7.o ccsdt_lambda2_10_8.o ccsdt_lambda2_11.o ccsdt_lambda2_11_1.o OFFSET_ccsdt_lambda2_11_1.o ccsdt_lambda2_11_2.o ccsdt_lambda2_11_2_1.o OFFSET_ccsdt_lambda2_11_2_1.o ccsdt_lambda2_11_2_2.o ccsdt_lambda2_11_2_2_1.o OFFSET_ccsdt_lambda2_11_2_2_1.o ccsdt_lambda2_11_2_2_2.o ccsdt_lambda2_11_2_3.o ccsdt_lambda2_11_3.o ccsdt_lambda2_11_3_1.o OFFSET_ccsdt_lambda2_11_3_1.o ccsdt_lambda2_11_3_2.o ccsdt_lambda2_11_4.o ccsdt_lambda2_11_4_1.o OFFSET_ccsdt_lambda2_11_4_1.o ccsdt_lambda2_11_4_2.o ccsdt_lambda2_11_5.o ccsdt_lambda2_11_5_1.o OFFSET_ccsdt_lambda2_11_5_1.o ccsdt_lambda2_11_5_2.o ccsdt_lambda2_11_6.o ccsdt_lambda2_11_7.o ccsdt_lambda2_12.o ccsdt_lambda2_12_1.o OFFSET_ccsdt_lambda2_12_1.o ccsdt_lambda2_12_2.o ccsdt_lambda2_12_3.o ccsdt_lambda2_12_3_1.o OFFSET_ccsdt_lambda2_12_3_1.o ccsdt_lambda2_12_3_2.o ccsdt_lambda2_12_4.o ccsdt_lambda2_12_5.o ccsdt_lambda2_12_6.o ccsdt_lambda2_12_6_1.o OFFSET_ccsdt_lambda2_12_6_1.o ccsdt_lambda2_12_7.o ccsdt_lambda2_12_7_1.o OFFSET_ccsdt_lambda2_12_7_1.o ccsdt_lambda2_13.o ccsdt_lambda2_13_1.o OFFSET_ccsdt_lambda2_13_1.o ccsdt_lambda2_13_2.o ccsdt_lambda2_13_3.o ccsdt_lambda2_14.o ccsdt_lambda2_14_1.o OFFSET_ccsdt_lambda2_14_1.o ccsdt_lambda2_14_2.o ccsdt_lambda2_15.o ccsdt_lambda2_15_1.o OFFSET_ccsdt_lambda2_15_1.o ccsdt_lambda2_15_2.o ccsdt_lambda2_16.o ccsdt_lambda2_16_1.o OFFSET_ccsdt_lambda2_16_1.o ccsdt_lambda2_16_2.o ccsdt_lambda2_17.o ccsdt_lambda2_17_1.o OFFSET_ccsdt_lambda2_17_1.o ccsdt_lambda2_18.o ccsdt_lambda2_18_1.o OFFSET_ccsdt_lambda2_18_1.o ccsdt_lambda2_18_2.o ccsdt_lambda2_19.o ccsdt_lambda2_19_1.o OFFSET_ccsdt_lambda2_19_1.o ccsdt_lambda2_19_2.o ccsdt_lambda2_19_3.o ccsdt_lambda2_19_3_1.o OFFSET_ccsdt_lambda2_19_3_1.o ccsdt_lambda2_19_4.o ccsdt_lambda2_19_4_1.o OFFSET_ccsdt_lambda2_19_4_1.o ccsdt_lambda2_20.o ccsdt_lambda2_20_1.o OFFSET_ccsdt_lambda2_20_1.o ccsdt_lambda2_21.o ccsdt_lambda2_21_1.o OFFSET_ccsdt_lambda2_21_1.o ccsdt_lambda2_22.o ccsdt_lambda2_22_1.o OFFSET_ccsdt_lambda2_22_1.o ccsdt_lambda2_23.o ccsdt_lambda2_23_1.o OFFSET_ccsdt_lambda2_23_1.o ccsdt_lambda2_23_2.o ccsdt_lambda2_23_2_1.o OFFSET_ccsdt_lambda2_23_2_1.o ccsdt_lambda2_23_2_2.o ccsdt_lambda2_23_3.o ccsdt_lambda2_23_3_1.o OFFSET_ccsdt_lambda2_23_3_1.o ccsdt_lambda2_24.o ccsdt_lambda2_24_1.o OFFSET_ccsdt_lambda2_24_1.o ccsdt_lambda2_24_1_1.o OFFSET_ccsdt_lambda2_24_1_1.o ccsdt_lambda2_25.o ccsdt_lambda2_25_1.o OFFSET_ccsdt_lambda2_25_1.o ccsdt_lambda2_25_1_1.o OFFSET_ccsdt_lambda2_25_1_1.o ccsdt_lambda2_26.o ccsdt_lambda2_26_1.o OFFSET_ccsdt_lambda2_26_1.o ccsdt_lambda2_26_1_1.o OFFSET_ccsdt_lambda2_26_1_1.o ccsdt_lambda2_26_2.o ccsdt_lambda2_26_2_1.o OFFSET_ccsdt_lambda2_26_2_1.o ccsdt_lambda2_26_2_1_1.o OFFSET_ccsdt_lambda2_26_2_1_1.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt_lambda' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsdt_lambda' Making all in eomccsdt gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsdt' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsdt' Compiling eomccsdt_x1.F... Compiling eomccsdt_x2.F... Compiling eomccsdt_y3.F... Compiling eomccsdt_density1.F... Compiling eomccsdt_denominator.F... Compiling eomccsdt_x1a.F... Compiling eomccsdt_x2a.F... Compiling eomccsdt_density1_1_1.F... Compiling eomccsdt_density1_1_2.F... Compiling eomccsdt_density1_1_3.F... Compiling eomccsdt_density1_1.F... Compiling eomccsdt_density1_2_1.F... Compiling eomccsdt_density1_2_2_1.F... Compiling eomccsdt_density1_2_2.F... Compiling eomccsdt_density1_2.F... Compiling eomccsdt_density1_3_1.F... Compiling eomccsdt_density1_3_2.F... Compiling eomccsdt_density1_3_3.F... Compiling eomccsdt_density1_3_4_1.F... Compiling eomccsdt_density1_3_4_2.F... Compiling eomccsdt_density1_3_4_3.F... Compiling eomccsdt_density1_3_4.F... Compiling eomccsdt_density1_3_5_1.F... Compiling eomccsdt_density1_3_5_2.F... Compiling eomccsdt_density1_3_5.F... Compiling eomccsdt_density1_3_6_1.F... Compiling eomccsdt_density1_3_6.F... Compiling eomccsdt_density1_3.F... Compiling eomccsdt_density1_4_1.F... Compiling eomccsdt_density1_4_2_1.F... Compiling eomccsdt_density1_4_2.F... Compiling eomccsdt_density1_4.F... Compiling eomccsdt_density1_5_10_1.F... Compiling eomccsdt_density1_5_10_2_1.F... Compiling eomccsdt_density1_5_10_2_2_1.F... Compiling eomccsdt_density1_5_10_2_2_2.F... Compiling eomccsdt_density1_5_10_2_2.F... Compiling eomccsdt_density1_5_10_2.F... Compiling eomccsdt_density1_5_10_3_1.F... Compiling eomccsdt_density1_5_10_3.F... Compiling eomccsdt_density1_5_10.F... Compiling eomccsdt_density1_5_11_1.F... Compiling eomccsdt_density1_5_11.F... Compiling eomccsdt_density1_5_12_1.F... Compiling eomccsdt_density1_5_12.F... Compiling eomccsdt_density1_5_13_1_1.F... Compiling eomccsdt_density1_5_13_1.F... Compiling eomccsdt_density1_5_13.F... Compiling eomccsdt_density1_5_1.F... Compiling eomccsdt_density1_5_2.F... Compiling eomccsdt_density1_5_3_1.F... Compiling eomccsdt_density1_5_3_2.F... Compiling eomccsdt_density1_5_3_3.F... Compiling eomccsdt_density1_5_3_4_1.F... Compiling eomccsdt_density1_5_3_4_2.F... Compiling eomccsdt_density1_5_3_4_3.F... Compiling eomccsdt_density1_5_3_4.F... Compiling eomccsdt_density1_5_3_5_1.F... Compiling eomccsdt_density1_5_3_5_2.F... Compiling eomccsdt_density1_5_3_5.F... Compiling eomccsdt_density1_5_3_6_1.F... Compiling eomccsdt_density1_5_3_6.F... Compiling eomccsdt_density1_5_3.F... Compiling eomccsdt_density1_5_4_1.F... Compiling eomccsdt_density1_5_4_2.F... Compiling eomccsdt_density1_5_4_3.F... Compiling eomccsdt_density1_5_4.F... Compiling eomccsdt_density1_5_5_1.F... Compiling eomccsdt_density1_5_5_2.F... Compiling eomccsdt_density1_5_5_3.F... Compiling eomccsdt_density1_5_5.F... Compiling eomccsdt_density1_5_6_1.F... Compiling eomccsdt_density1_5_6_2.F... Compiling eomccsdt_density1_5_6.F... Compiling eomccsdt_density1_5_7_1.F... Compiling eomccsdt_density1_5_7.F... Compiling eomccsdt_density1_5_8_1.F... Compiling eomccsdt_density1_5_8_2.F... Compiling eomccsdt_density1_5_8_3.F... Compiling eomccsdt_density1_5_8.F... Compiling eomccsdt_density1_5_9_1.F... Compiling eomccsdt_density1_5_9_2.F... Compiling eomccsdt_density1_5_9.F... Compiling eomccsdt_density1_5.F... Compiling eomccsdt_density1_6_1.F... Compiling eomccsdt_density1_6_2.F... Compiling eomccsdt_density1_6_3_1.F... Compiling eomccsdt_density1_6_3_2.F... Compiling eomccsdt_density1_6_3.F... Compiling eomccsdt_density1_6_4_1.F... Compiling eomccsdt_density1_6_4_2.F... Compiling eomccsdt_density1_6_4.F... Compiling eomccsdt_density1_6_5_1.F... Compiling eomccsdt_density1_6_5.F... Compiling eomccsdt_density1_6.F... Compiling eomccsdt_x2a_all12.F... Compiling eomccsdt_x2a_all15.F... Compiling eomccsdt_x2a_all18.F... Compiling eomccsdt_x2a_all3.F... Compiling eomccsdt_x2a_all6.F... Compiling eomccsdt_x2a_all9.F... Compiling eomccsdt_x2_all12.F... Compiling eomccsdt_x2_all15.F... Compiling eomccsdt_x2_all18.F... Compiling eomccsdt_x2_all3.F... Compiling eomccsdt_x2_all6.F... Compiling eomccsdt_x2_all9.F... Compiling eomccsdt_x3a_all12.F... Compiling eomccsdt_x3a_all15.F... Compiling eomccsdt_x3a_all17.F... Compiling eomccsdt_x3a_all3.F... Compiling eomccsdt_x3a_all6.F... Compiling eomccsdt_x3a_all9.F... Compiling eomccsdt_x3a.F... Compiling eomccsdt_x3_all12.F... Compiling eomccsdt_x3_all15.F... Compiling eomccsdt_x3_all17.F... Compiling eomccsdt_x3_all3.F... Compiling eomccsdt_x3_all6.F... Compiling eomccsdt_x3_all9.F... Compiling eomccsdt_x3.F... Compiling eomccsdt_y1_all12.F... Compiling eomccsdt_y1_all15.F... Compiling eomccsdt_y1_all18.F... Compiling eomccsdt_y1_all20.F... Compiling eomccsdt_y1_all3.F... Compiling eomccsdt_y1_all6.F... Compiling eomccsdt_y1_all9.F... Compiling eomccsdt_y1.F... Compiling eomccsdt_y2_all12.F... Compiling eomccsdt_y2_all15.F... Compiling eomccsdt_y2_all18.F... Compiling eomccsdt_y2_all21.F... Compiling eomccsdt_y2_all24.F... Compiling eomccsdt_y2_all25.F... Compiling eomccsdt_y2_all3.F... Compiling eomccsdt_y2_all6.F... Compiling eomccsdt_y2_all9.F... Compiling eomccsdt_y2.F... Compiling OFFSET_eomccsdt_1.F... Compiling OFFSET_eomccsdt_2.F... Compiling OFFSET_eomccsdt_3.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsdt' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsdt' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a eomccsdt_x1.o eomccsdt_x2.o eomccsdt_y3.o eomccsdt_density1.o eomccsdt_denominator.o eomccsdt_x1a.o eomccsdt_x2a.o eomccsdt_density1_1_1.o eomccsdt_density1_1_2.o eomccsdt_density1_1_3.o eomccsdt_density1_1.o eomccsdt_density1_2_1.o eomccsdt_density1_2_2_1.o eomccsdt_density1_2_2.o eomccsdt_density1_2.o eomccsdt_density1_3_1.o eomccsdt_density1_3_2.o eomccsdt_density1_3_3.o eomccsdt_density1_3_4_1.o eomccsdt_density1_3_4_2.o eomccsdt_density1_3_4_3.o eomccsdt_density1_3_4.o eomccsdt_density1_3_5_1.o eomccsdt_density1_3_5_2.o eomccsdt_density1_3_5.o eomccsdt_density1_3_6_1.o eomccsdt_density1_3_6.o eomccsdt_density1_3.o eomccsdt_density1_4_1.o eomccsdt_density1_4_2_1.o eomccsdt_density1_4_2.o eomccsdt_density1_4.o eomccsdt_density1_5_10_1.o eomccsdt_density1_5_10_2_1.o eomccsdt_density1_5_10_2_2_1.o eomccsdt_density1_5_10_2_2_2.o eomccsdt_density1_5_10_2_2.o eomccsdt_density1_5_10_2.o eomccsdt_density1_5_10_3_1.o eomccsdt_density1_5_10_3.o eomccsdt_density1_5_10.o eomccsdt_density1_5_11_1.o eomccsdt_density1_5_11.o eomccsdt_density1_5_12_1.o eomccsdt_density1_5_12.o eomccsdt_density1_5_13_1_1.o eomccsdt_density1_5_13_1.o eomccsdt_density1_5_13.o eomccsdt_density1_5_1.o eomccsdt_density1_5_2.o eomccsdt_density1_5_3_1.o eomccsdt_density1_5_3_2.o eomccsdt_density1_5_3_3.o eomccsdt_density1_5_3_4_1.o eomccsdt_density1_5_3_4_2.o eomccsdt_density1_5_3_4_3.o eomccsdt_density1_5_3_4.o eomccsdt_density1_5_3_5_1.o eomccsdt_density1_5_3_5_2.o eomccsdt_density1_5_3_5.o eomccsdt_density1_5_3_6_1.o eomccsdt_density1_5_3_6.o eomccsdt_density1_5_3.o eomccsdt_density1_5_4_1.o eomccsdt_density1_5_4_2.o eomccsdt_density1_5_4_3.o eomccsdt_density1_5_4.o eomccsdt_density1_5_5_1.o eomccsdt_density1_5_5_2.o eomccsdt_density1_5_5_3.o eomccsdt_density1_5_5.o eomccsdt_density1_5_6_1.o eomccsdt_density1_5_6_2.o eomccsdt_density1_5_6.o eomccsdt_density1_5_7_1.o eomccsdt_density1_5_7.o eomccsdt_density1_5_8_1.o eomccsdt_density1_5_8_2.o eomccsdt_density1_5_8_3.o eomccsdt_density1_5_8.o eomccsdt_density1_5_9_1.o eomccsdt_density1_5_9_2.o eomccsdt_density1_5_9.o eomccsdt_density1_5.o eomccsdt_density1_6_1.o eomccsdt_density1_6_2.o eomccsdt_density1_6_3_1.o eomccsdt_density1_6_3_2.o eomccsdt_density1_6_3.o eomccsdt_density1_6_4_1.o eomccsdt_density1_6_4_2.o eomccsdt_density1_6_4.o eomccsdt_density1_6_5_1.o eomccsdt_density1_6_5.o eomccsdt_density1_6.o eomccsdt_x2a_all12.o eomccsdt_x2a_all15.o eomccsdt_x2a_all18.o eomccsdt_x2a_all3.o eomccsdt_x2a_all6.o eomccsdt_x2a_all9.o eomccsdt_x2_all12.o eomccsdt_x2_all15.o eomccsdt_x2_all18.o eomccsdt_x2_all3.o eomccsdt_x2_all6.o eomccsdt_x2_all9.o eomccsdt_x3a_all12.o eomccsdt_x3a_all15.o eomccsdt_x3a_all17.o eomccsdt_x3a_all3.o eomccsdt_x3a_all6.o eomccsdt_x3a_all9.o eomccsdt_x3a.o eomccsdt_x3_all12.o eomccsdt_x3_all15.o eomccsdt_x3_all17.o eomccsdt_x3_all3.o eomccsdt_x3_all6.o eomccsdt_x3_all9.o eomccsdt_x3.o eomccsdt_y1_all12.o eomccsdt_y1_all15.o eomccsdt_y1_all18.o eomccsdt_y1_all20.o eomccsdt_y1_all3.o eomccsdt_y1_all6.o eomccsdt_y1_all9.o eomccsdt_y1.o eomccsdt_y2_all12.o eomccsdt_y2_all15.o eomccsdt_y2_all18.o eomccsdt_y2_all21.o eomccsdt_y2_all24.o eomccsdt_y2_all25.o eomccsdt_y2_all3.o eomccsdt_y2_all6.o eomccsdt_y2_all9.o eomccsdt_y2.o OFFSET_eomccsdt_1.o OFFSET_eomccsdt_2.o OFFSET_eomccsdt_3.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsdt' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/eomccsdt' Making all in ccsd_alpha gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_alpha' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_alpha' Compiling alpha_1_1_1.F... Compiling alpha_1_1_2.F... Compiling alpha_1_1_3_1.F... Compiling alpha_1_1_3_2.F... Compiling alpha_1_1_3.F... Compiling alpha_1_1_4_1.F... Compiling alpha_1_1_4_2.F... Compiling alpha_1_1_4.F... Compiling alpha_1_1_5_1.F... Compiling alpha_1_1_5.F... Compiling alpha_1_1_6_1.F... Compiling alpha_1_1_6.F... Compiling alpha_1_1.F... Compiling alpha_1_2_1.F... Compiling alpha_1_2_2.F... Compiling alpha_1_2.F... Compiling alpha_1_3_1.F... Compiling alpha_1_3.F... Compiling alpha_1_4_1.F... Compiling alpha_1_4.F... Compiling alpha_1.F... Compiling alpha_2_1_1.F... Compiling alpha_2_1.F... Compiling alpha_2_2_1_1.F... Compiling alpha_2_2_1_2.F... Compiling alpha_2_2_1.F... Compiling alpha_2_2_2_1.F... Compiling alpha_2_2_2_2.F... Compiling alpha_2_2_2.F... Compiling alpha_2_2_3_1.F... Compiling alpha_2_2_3.F... Compiling alpha_2_2_4_1.F... Compiling alpha_2_2_4.F... Compiling alpha_2_2.F... Compiling alpha_2_3_1_1.F... Compiling alpha_2_3_1_2.F... Compiling alpha_2_3_1_3_1.F... Compiling alpha_2_3_1_3.F... Compiling alpha_2_3_1_4_1.F... Compiling alpha_2_3_1_4.F... Compiling alpha_2_3_1.F... Compiling alpha_2_3_2_1.F... Compiling alpha_2_3_2_2.F... Compiling alpha_2_3_2_3_1.F... Compiling alpha_2_3_2_3.F... Compiling alpha_2_3_2_4_1.F... Compiling alpha_2_3_2_4.F... Compiling alpha_2_3_2.F... Compiling alpha_2_3_3_1.F... Compiling alpha_2_3_3.F... Compiling alpha_2_3_4_1.F... Compiling alpha_2_3_4.F... Compiling alpha_2_3_5_1.F... Compiling alpha_2_3_5.F... Compiling alpha_2_3_6_1.F... Compiling alpha_2_3_6.F... Compiling alpha_2_3_7_1.F... Compiling alpha_2_3_7.F... Compiling alpha_2_3_8_1.F... Compiling alpha_2_3_8.F... Compiling alpha_2_3_9_1_1.F... Compiling alpha_2_3_9_1.F... Compiling alpha_2_3_9_2_1.F... Compiling alpha_2_3_9_2.F... Compiling alpha_2_3_9.F... Compiling alpha_2_3.F... Compiling alpha_2_4_1_1.F... Compiling alpha_2_4_1.F... Compiling alpha_2_4.F... Compiling alpha_2_5_10_1_1.F... Compiling alpha_2_5_10_1.F... Compiling alpha_2_5_10_2_1.F... Compiling alpha_2_5_10_2.F... Compiling alpha_2_5_10_3_1.F... Compiling alpha_2_5_10_3.F... Compiling alpha_2_5_10_4_1.F... Compiling alpha_2_5_10_4.F... Compiling alpha_2_5_10_5_1.F... Compiling alpha_2_5_10_5.F... Compiling alpha_2_5_10_6_1.F... Compiling alpha_2_5_10_6.F... Compiling alpha_2_5_10_7_1.F... Compiling alpha_2_5_10_7.F... Compiling alpha_2_5_10_8_1_1.F... Compiling alpha_2_5_10_8_1.F... Compiling alpha_2_5_10_8.F... Compiling alpha_2_5_10.F... Compiling alpha_2_5_11_1_1.F... Compiling alpha_2_5_11_1.F... Compiling alpha_2_5_1_1.F... Compiling alpha_2_5_11.F... Compiling alpha_2_5_12_1_1.F... Compiling alpha_2_5_12_1.F... Compiling alpha_2_5_1_2.F... Compiling alpha_2_5_12.F... Compiling alpha_2_5_13_1_1.F... Compiling alpha_2_5_1_3_1.F... Compiling alpha_2_5_13_1.F... Compiling alpha_2_5_13_2_1.F... Compiling alpha_2_5_13_2.F... Compiling alpha_2_5_1_3.F... Compiling alpha_2_5_13.F... Compiling alpha_2_5_14_1_1.F... Compiling alpha_2_5_14_1.F... Compiling alpha_2_5_14_2_1.F... Compiling alpha_2_5_14_2.F... Compiling alpha_2_5_14.F... Compiling alpha_2_5_1.F... Compiling alpha_2_5_2_1.F... Compiling alpha_2_5_2.F... Compiling alpha_2_5_3_1.F... Compiling alpha_2_5_3_2.F... Compiling alpha_2_5_3.F... Compiling alpha_2_5_4_1.F... Compiling alpha_2_5_4_2_1.F... Compiling alpha_2_5_4_2.F... Compiling alpha_2_5_4.F... Compiling alpha_2_5_5_1.F... Compiling alpha_2_5_5_2.F... Compiling alpha_2_5_5.F... Compiling alpha_2_5_6_1.F... Compiling alpha_2_5_6.F... Compiling alpha_2_5_7_1.F... Compiling alpha_2_5_7.F... Compiling alpha_2_5_8_1.F... Compiling alpha_2_5_8.F... Compiling alpha_2_5_9_1.F... Compiling alpha_2_5_9.F... Compiling alpha_2_5.F... Compiling alpha_2_6_1_1.F... Compiling alpha_2_6_1.F... Compiling alpha_2_6.F... Compiling alpha_2_7_1_1.F... Compiling alpha_2_7_1_2_1.F... Compiling alpha_2_7_1_2.F... Compiling alpha_2_7_1.F... Compiling alpha_2_7_2_1.F... Compiling alpha_2_7_2.F... Compiling alpha_2_7_3_1.F... Compiling alpha_2_7_3.F... Compiling alpha_2_7_4_1.F... Compiling alpha_2_7_4_2_1.F... Compiling alpha_2_7_4_2.F... Compiling alpha_2_7_4.F... Compiling alpha_2_7_5_1.F... Compiling alpha_2_7_5.F... Compiling alpha_2_7_6_1.F... Compiling alpha_2_7_6.F... Compiling alpha_2_7_7_1_1.F... Compiling alpha_2_7_7_1.F... Compiling alpha_2_7_7.F... Compiling alpha_2_7.F... Compiling alpha_2_8_1_1.F... Compiling alpha_2_8_1.F... Compiling alpha_2_8_2_1.F... Compiling alpha_2_8_2.F... Compiling alpha_2_8_3_1.F... Compiling alpha_2_8_3.F... Compiling alpha_2_8_4_1_1.F... Compiling alpha_2_8_4_1_2_1.F... Compiling alpha_2_8_4_1_2.F... Compiling alpha_2_8_4_1.F... Compiling alpha_2_8_4_2_1.F... Compiling alpha_2_8_4_2.F... Compiling alpha_2_8_4_3_1.F... Compiling alpha_2_8_4_3_2_1.F... Compiling alpha_2_8_4_3_2.F... Compiling alpha_2_8_4_3.F... Compiling alpha_2_8_4_4_1.F... Compiling alpha_2_8_4_4.F... Compiling alpha_2_8_4_5_1_1.F... Compiling alpha_2_8_4_5_1.F... Compiling alpha_2_8_4_5.F... Compiling alpha_2_8_4.F... Compiling alpha_2_8_5_1_1.F... Compiling alpha_2_8_5_1.F... Compiling alpha_2_8_5_2_1.F... Compiling alpha_2_8_5_2.F... Compiling alpha_2_8_5.F... Compiling alpha_2_8_6_1_1.F... Compiling alpha_2_8_6_1.F... Compiling alpha_2_8_6_2_1.F... Compiling alpha_2_8_6_2.F... Compiling alpha_2_8_6_3_1.F... Compiling alpha_2_8_6_3.F... Compiling alpha_2_8_6_4_1.F... Compiling alpha_2_8_6_4.F... Compiling alpha_2_8_6.F... Compiling alpha_2_8_7_1_1.F... Compiling alpha_2_8_7_1.F... Compiling alpha_2_8_7.F... Compiling alpha_2_8_8_1_1.F... Compiling alpha_2_8_8_1.F... Compiling alpha_2_8_8.F... Compiling alpha_2_8.F... Compiling alpha_2.F... Compiling dip_r_1_1.F... Compiling dip_r_1_2.F... Compiling dip_r_1.F... Compiling dip_r_2.F... Compiling dip_r.F... Compiling offset_alpha_1_1_1.F... Compiling offset_alpha_1_1_3_1.F... Compiling offset_alpha_1_1_4_1.F... Compiling offset_alpha_1_1_5_1.F... Compiling offset_alpha_1_1_6_1.F... Compiling offset_alpha_1_2_1.F... Compiling offset_alpha_1_3_1.F... Compiling offset_alpha_1_4_1.F... Compiling offset_alpha_2_1_1.F... Compiling offset_alpha_2_2_1_1.F... Compiling offset_alpha_2_2_1.F... Compiling offset_alpha_2_2_2_1.F... Compiling offset_alpha_2_2_3_1.F... Compiling offset_alpha_2_2_4_1.F... Compiling offset_alpha_2_3_1_1.F... Compiling offset_alpha_2_3_1_3_1.F... Compiling offset_alpha_2_3_1_4_1.F... Compiling offset_alpha_2_3_1.F... Compiling offset_alpha_2_3_2_1.F... Compiling offset_alpha_2_3_2_3_1.F... Compiling offset_alpha_2_3_2_4_1.F... Compiling offset_alpha_2_3_3_1.F... Compiling offset_alpha_2_3_4_1.F... Compiling offset_alpha_2_3_5_1.F... Compiling offset_alpha_2_3_6_1.F... Compiling offset_alpha_2_3_7_1.F... Compiling offset_alpha_2_3_8_1.F... Compiling offset_alpha_2_3_9_1_1.F... Compiling offset_alpha_2_3_9_1.F... Compiling offset_alpha_2_3_9_2_1.F... Compiling offset_alpha_2_4_1_1.F... Compiling offset_alpha_2_4_1.F... Compiling offset_alpha_2_5_10_1_1.F... Compiling offset_alpha_2_5_10_1.F... Compiling offset_alpha_2_5_10_2_1.F... Compiling offset_alpha_2_5_10_3_1.F... Compiling offset_alpha_2_5_10_4_1.F... Compiling offset_alpha_2_5_10_5_1.F... Compiling offset_alpha_2_5_10_6_1.F... Compiling offset_alpha_2_5_10_7_1.F... Compiling offset_alpha_2_5_10_8_1_1.F... Compiling offset_alpha_2_5_10_8_1.F... Compiling offset_alpha_2_5_11_1_1.F... Compiling offset_alpha_2_5_11_1.F... Compiling offset_alpha_2_5_1_1.F... Compiling offset_alpha_2_5_12_1_1.F... Compiling offset_alpha_2_5_12_1.F... Compiling offset_alpha_2_5_13_1_1.F... Compiling offset_alpha_2_5_1_3_1.F... Compiling offset_alpha_2_5_13_1.F... Compiling offset_alpha_2_5_13_2_1.F... Compiling offset_alpha_2_5_14_1_1.F... Compiling offset_alpha_2_5_14_1.F... Compiling offset_alpha_2_5_14_2_1.F... Compiling offset_alpha_2_5_1.F... Compiling offset_alpha_2_5_2_1.F... Compiling offset_alpha_2_5_3_1.F... Compiling offset_alpha_2_5_4_1.F... Compiling offset_alpha_2_5_4_2_1.F... Compiling offset_alpha_2_5_5_1.F... Compiling offset_alpha_2_5_6_1.F... Compiling offset_alpha_2_5_7_1.F... Compiling offset_alpha_2_5_8_1.F... Compiling offset_alpha_2_5_9_1.F... Compiling offset_alpha_2_6_1_1.F... Compiling offset_alpha_2_6_1.F... Compiling offset_alpha_2_7_1_1.F... Compiling offset_alpha_2_7_1_2_1.F... Compiling offset_alpha_2_7_1.F... Compiling offset_alpha_2_7_2_1.F... Compiling offset_alpha_2_7_3_1.F... Compiling offset_alpha_2_7_4_1.F... Compiling offset_alpha_2_7_4_2_1.F... Compiling offset_alpha_2_7_5_1.F... Compiling offset_alpha_2_7_6_1.F... Compiling offset_alpha_2_7_7_1_1.F... Compiling offset_alpha_2_7_7_1.F... Compiling offset_alpha_2_8_1_1.F... Compiling offset_alpha_2_8_1.F... Compiling offset_alpha_2_8_2_1.F... Compiling offset_alpha_2_8_3_1.F... Compiling offset_alpha_2_8_4_1_1.F... Compiling offset_alpha_2_8_4_1_2_1.F... Compiling offset_alpha_2_8_4_1.F... Compiling offset_alpha_2_8_4_2_1.F... Compiling offset_alpha_2_8_4_3_1.F... Compiling offset_alpha_2_8_4_3_2_1.F... Compiling offset_alpha_2_8_4_4_1.F... Compiling offset_alpha_2_8_4_5_1_1.F... Compiling offset_alpha_2_8_4_5_1.F... Compiling offset_alpha_2_8_5_1_1.F... Compiling offset_alpha_2_8_5_1.F... Compiling offset_alpha_2_8_5_2_1.F... Compiling offset_alpha_2_8_6_1_1.F... Compiling offset_alpha_2_8_6_1.F... Compiling offset_alpha_2_8_6_2_1.F... Compiling offset_alpha_2_8_6_3_1.F... Compiling offset_alpha_2_8_6_4_1.F... Compiling offset_alpha_2_8_7_1_1.F... Compiling offset_alpha_2_8_7_1.F... Compiling offset_alpha_2_8_8_1_1.F... Compiling offset_alpha_2_8_8_1.F... Compiling offset_dip_r_1_1.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_alpha' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_alpha' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a alpha_1_1_1.o alpha_1_1_2.o alpha_1_1_3_1.o alpha_1_1_3_2.o alpha_1_1_3.o alpha_1_1_4_1.o alpha_1_1_4_2.o alpha_1_1_4.o alpha_1_1_5_1.o alpha_1_1_5.o alpha_1_1_6_1.o alpha_1_1_6.o alpha_1_1.o alpha_1_2_1.o alpha_1_2_2.o alpha_1_2.o alpha_1_3_1.o alpha_1_3.o alpha_1_4_1.o alpha_1_4.o alpha_1.o alpha_2_1_1.o alpha_2_1.o alpha_2_2_1_1.o alpha_2_2_1_2.o alpha_2_2_1.o alpha_2_2_2_1.o alpha_2_2_2_2.o alpha_2_2_2.o alpha_2_2_3_1.o alpha_2_2_3.o alpha_2_2_4_1.o alpha_2_2_4.o alpha_2_2.o alpha_2_3_1_1.o alpha_2_3_1_2.o alpha_2_3_1_3_1.o alpha_2_3_1_3.o alpha_2_3_1_4_1.o alpha_2_3_1_4.o alpha_2_3_1.o alpha_2_3_2_1.o alpha_2_3_2_2.o alpha_2_3_2_3_1.o alpha_2_3_2_3.o alpha_2_3_2_4_1.o alpha_2_3_2_4.o alpha_2_3_2.o alpha_2_3_3_1.o alpha_2_3_3.o alpha_2_3_4_1.o alpha_2_3_4.o alpha_2_3_5_1.o alpha_2_3_5.o alpha_2_3_6_1.o alpha_2_3_6.o alpha_2_3_7_1.o alpha_2_3_7.o alpha_2_3_8_1.o alpha_2_3_8.o alpha_2_3_9_1_1.o alpha_2_3_9_1.o alpha_2_3_9_2_1.o alpha_2_3_9_2.o alpha_2_3_9.o alpha_2_3.o alpha_2_4_1_1.o alpha_2_4_1.o alpha_2_4.o alpha_2_5_10_1_1.o alpha_2_5_10_1.o alpha_2_5_10_2_1.o alpha_2_5_10_2.o alpha_2_5_10_3_1.o alpha_2_5_10_3.o alpha_2_5_10_4_1.o alpha_2_5_10_4.o alpha_2_5_10_5_1.o alpha_2_5_10_5.o alpha_2_5_10_6_1.o alpha_2_5_10_6.o alpha_2_5_10_7_1.o alpha_2_5_10_7.o alpha_2_5_10_8_1_1.o alpha_2_5_10_8_1.o alpha_2_5_10_8.o alpha_2_5_10.o alpha_2_5_11_1_1.o alpha_2_5_11_1.o alpha_2_5_1_1.o alpha_2_5_11.o alpha_2_5_12_1_1.o alpha_2_5_12_1.o alpha_2_5_1_2.o alpha_2_5_12.o alpha_2_5_13_1_1.o alpha_2_5_1_3_1.o alpha_2_5_13_1.o alpha_2_5_13_2_1.o alpha_2_5_13_2.o alpha_2_5_1_3.o alpha_2_5_13.o alpha_2_5_14_1_1.o alpha_2_5_14_1.o alpha_2_5_14_2_1.o alpha_2_5_14_2.o alpha_2_5_14.o alpha_2_5_1.o alpha_2_5_2_1.o alpha_2_5_2.o alpha_2_5_3_1.o alpha_2_5_3_2.o alpha_2_5_3.o alpha_2_5_4_1.o alpha_2_5_4_2_1.o alpha_2_5_4_2.o alpha_2_5_4.o alpha_2_5_5_1.o alpha_2_5_5_2.o alpha_2_5_5.o alpha_2_5_6_1.o alpha_2_5_6.o alpha_2_5_7_1.o alpha_2_5_7.o alpha_2_5_8_1.o alpha_2_5_8.o alpha_2_5_9_1.o alpha_2_5_9.o alpha_2_5.o alpha_2_6_1_1.o alpha_2_6_1.o alpha_2_6.o alpha_2_7_1_1.o alpha_2_7_1_2_1.o alpha_2_7_1_2.o alpha_2_7_1.o alpha_2_7_2_1.o alpha_2_7_2.o alpha_2_7_3_1.o alpha_2_7_3.o alpha_2_7_4_1.o alpha_2_7_4_2_1.o alpha_2_7_4_2.o alpha_2_7_4.o alpha_2_7_5_1.o alpha_2_7_5.o alpha_2_7_6_1.o alpha_2_7_6.o alpha_2_7_7_1_1.o alpha_2_7_7_1.o alpha_2_7_7.o alpha_2_7.o alpha_2_8_1_1.o alpha_2_8_1.o alpha_2_8_2_1.o alpha_2_8_2.o alpha_2_8_3_1.o alpha_2_8_3.o alpha_2_8_4_1_1.o alpha_2_8_4_1_2_1.o alpha_2_8_4_1_2.o alpha_2_8_4_1.o alpha_2_8_4_2_1.o alpha_2_8_4_2.o alpha_2_8_4_3_1.o alpha_2_8_4_3_2_1.o alpha_2_8_4_3_2.o alpha_2_8_4_3.o alpha_2_8_4_4_1.o alpha_2_8_4_4.o alpha_2_8_4_5_1_1.o alpha_2_8_4_5_1.o alpha_2_8_4_5.o alpha_2_8_4.o alpha_2_8_5_1_1.o alpha_2_8_5_1.o alpha_2_8_5_2_1.o alpha_2_8_5_2.o alpha_2_8_5.o alpha_2_8_6_1_1.o alpha_2_8_6_1.o alpha_2_8_6_2_1.o alpha_2_8_6_2.o alpha_2_8_6_3_1.o alpha_2_8_6_3.o alpha_2_8_6_4_1.o alpha_2_8_6_4.o alpha_2_8_6.o alpha_2_8_7_1_1.o alpha_2_8_7_1.o alpha_2_8_7.o alpha_2_8_8_1_1.o alpha_2_8_8_1.o alpha_2_8_8.o alpha_2_8.o alpha_2.o dip_r_1_1.o dip_r_1_2.o dip_r_1.o dip_r_2.o dip_r.o offset_alpha_1_1_1.o offset_alpha_1_1_3_1.o offset_alpha_1_1_4_1.o offset_alpha_1_1_5_1.o offset_alpha_1_1_6_1.o offset_alpha_1_2_1.o offset_alpha_1_3_1.o offset_alpha_1_4_1.o offset_alpha_2_1_1.o offset_alpha_2_2_1_1.o offset_alpha_2_2_1.o offset_alpha_2_2_2_1.o offset_alpha_2_2_3_1.o offset_alpha_2_2_4_1.o offset_alpha_2_3_1_1.o offset_alpha_2_3_1_3_1.o offset_alpha_2_3_1_4_1.o offset_alpha_2_3_1.o offset_alpha_2_3_2_1.o offset_alpha_2_3_2_3_1.o offset_alpha_2_3_2_4_1.o offset_alpha_2_3_3_1.o offset_alpha_2_3_4_1.o offset_alpha_2_3_5_1.o offset_alpha_2_3_6_1.o offset_alpha_2_3_7_1.o offset_alpha_2_3_8_1.o offset_alpha_2_3_9_1_1.o offset_alpha_2_3_9_1.o offset_alpha_2_3_9_2_1.o offset_alpha_2_4_1_1.o offset_alpha_2_4_1.o offset_alpha_2_5_10_1_1.o offset_alpha_2_5_10_1.o offset_alpha_2_5_10_2_1.o offset_alpha_2_5_10_3_1.o offset_alpha_2_5_10_4_1.o offset_alpha_2_5_10_5_1.o offset_alpha_2_5_10_6_1.o offset_alpha_2_5_10_7_1.o offset_alpha_2_5_10_8_1_1.o offset_alpha_2_5_10_8_1.o offset_alpha_2_5_11_1_1.o offset_alpha_2_5_11_1.o offset_alpha_2_5_1_1.o offset_alpha_2_5_12_1_1.o offset_alpha_2_5_12_1.o offset_alpha_2_5_13_1_1.o offset_alpha_2_5_1_3_1.o offset_alpha_2_5_13_1.o offset_alpha_2_5_13_2_1.o offset_alpha_2_5_14_1_1.o offset_alpha_2_5_14_1.o offset_alpha_2_5_14_2_1.o offset_alpha_2_5_1.o offset_alpha_2_5_2_1.o offset_alpha_2_5_3_1.o offset_alpha_2_5_4_1.o offset_alpha_2_5_4_2_1.o offset_alpha_2_5_5_1.o offset_alpha_2_5_6_1.o offset_alpha_2_5_7_1.o offset_alpha_2_5_8_1.o offset_alpha_2_5_9_1.o offset_alpha_2_6_1_1.o offset_alpha_2_6_1.o offset_alpha_2_7_1_1.o offset_alpha_2_7_1_2_1.o offset_alpha_2_7_1.o offset_alpha_2_7_2_1.o offset_alpha_2_7_3_1.o offset_alpha_2_7_4_1.o offset_alpha_2_7_4_2_1.o offset_alpha_2_7_5_1.o offset_alpha_2_7_6_1.o offset_alpha_2_7_7_1_1.o offset_alpha_2_7_7_1.o offset_alpha_2_8_1_1.o offset_alpha_2_8_1.o offset_alpha_2_8_2_1.o offset_alpha_2_8_3_1.o offset_alpha_2_8_4_1_1.o offset_alpha_2_8_4_1_2_1.o offset_alpha_2_8_4_1.o offset_alpha_2_8_4_2_1.o offset_alpha_2_8_4_3_1.o offset_alpha_2_8_4_3_2_1.o offset_alpha_2_8_4_4_1.o offset_alpha_2_8_4_5_1_1.o offset_alpha_2_8_4_5_1.o offset_alpha_2_8_5_1_1.o offset_alpha_2_8_5_1.o offset_alpha_2_8_5_2_1.o offset_alpha_2_8_6_1_1.o offset_alpha_2_8_6_1.o offset_alpha_2_8_6_2_1.o offset_alpha_2_8_6_3_1.o offset_alpha_2_8_6_4_1.o offset_alpha_2_8_7_1_1.o offset_alpha_2_8_7_1.o offset_alpha_2_8_8_1_1.o offset_alpha_2_8_8_1.o offset_dip_r_1_1.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_alpha' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_alpha' Making all in ccsd_beta gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_beta' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_beta' Compiling beta_1_all.F... Compiling beta_2_all.F... Compiling beta_3_all.F... Compiling beta_4_all.F... Compiling beta_all_offsets.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_beta' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_beta' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a beta_1_all.o beta_2_all.o beta_3_all.o beta_4_all.o beta_all_offsets.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_beta' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_beta' Making all in ccsd_yr gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_yr' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_yr' Compiling ccsd_y_o1.F... Compiling ccsd_y_o2.F... Compiling ccsd_yr1.F... Compiling ccsd_yr2.F... Compiling ccsd_y_tr1.F... Compiling ccsd_y_tr2.F... Compiling alpha_2_yr.F... Compiling ccsd_lr_d1_hh.F... Compiling ccsd_lr_d1_ph.F... Compiling ccsd_lr_d1_hp.F... Compiling ccsd_lr_d1_pp.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_yr' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_yr' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a ccsd_y_o1.o ccsd_y_o2.o ccsd_yr1.o ccsd_yr2.o ccsd_y_tr1.o ccsd_y_tr2.o alpha_2_yr.o ccsd_lr_d1_hh.o ccsd_lr_d1_ph.o ccsd_lr_d1_hp.o ccsd_lr_d1_pp.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_yr' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/ccsd_yr' Making all in response gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/response' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/response' Compiling ccsd_o1.F... Compiling ccsd_o2.F... Compiling eomccsd_o1.F... Compiling eomccsd_o2.F... Compiling ccsdt_o1.F... Compiling ccsdt_o2.F... Compiling ccsdt_o3.F... Compiling ccsdtq_o1.F... Compiling ccsdtq_o2.F... Compiling ccsdtq_o3.F... Compiling ccsdtq_o4.F... gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/response' gmake[3]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/response' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a ccsd_o1.o ccsd_o2.o eomccsd_o1.o eomccsd_o2.o ccsdt_o1.o ccsdt_o2.o ccsdt_o3.o ccsdtq_o1.o ccsdtq_o2.o ccsdtq_o3.o ccsdtq_o4.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[3]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/response' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce/response' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce' Parse error: invalid expression :1 Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a tce_input.o tce_init.o tce_energy.o tce_energy_fragment.o tce_tile.o tce_ao1e.o tce_mo1e.o tce_ao2e.o tce_filename.o createfile.o deletefile.o reconcilefile.o dratoga.o gatodra.o gatoeaf.o get_block.o put_block.o add_block.o tce_tidy.o sf_test.o hbar.o tce_mo2e.o tce_mo1e_offset.o tce_mo2e_offset.o tce_e_offset.o tce_guess_t1.o tce_guess_t2.o tce_zero.o tce_print_x1.o tce_print_x2.o tce_residual_t1.o tce_residual_t2.o tce_residual_t3.o tce_residual_t4.o ma_pack.o sf_print.o ma_print_compact.o ma_scale.o copyfile.o ddotfile.o daxfile.o daxpyfile.o dscalfile.o tce_aod1.o tce_nud1.o tce_mod1.o tce_mod1_offset.o sym_abelian_axis.o tce_mod1_new.o tce_mod1_offset_new.o tce_eom_init.o tce_eom_tidy.o tce_eom_xdiagon.o tce_eom_ydiagon.o tce_t1_offset.o tce_t2_offset.o tce_t3_offset.o tce_t4_offset.o tce_x1_offset.o tce_x2_offset.o tce_x3_offset.o tce_x4_offset.o tce_y1_offset.o tce_y2_offset.o tce_y3_offset.o tce_y4_offset.o tce_mbpt2.o tce_restricted.o tce_hash.o get_hash_block.o put_hash_block.o add_hash_block.o tce_residual_t3a.o tce_t3a_offset.o tce_x3a_offset.o tce_cholesky.o tce_ao2e_cholesky.o tce_ao2e_cholesky_2d.o tce_ao2e_cholesky_4d.o e2_offset_2_offset.o get_block_ind.o get_block_ind_sf.o tce_hash_ind.o tce_mo2e_offset_intorb.o tce_mo2e_offset_size.o tce_mo2e_trans.o atpart_nalength.o tce_mo2e_zones_4a_disk_ga.o tce_mo2e_zones_4a_disk_ga_chop.o tce_mo2e_zones_4a_disk_2s_new.o tce_restart.o tce_restart_triples.o tce_restart_quadruples.o tce_dens_hh_offset.o tce_dens_hp_offset.o tce_dens_pp_offset.o tce_dens_ph_offset.o get_mo_rdm_hh.o get_mo_rdm_hp.o get_mo_rdm_ph.o get_mo_rdm_pp.o ao_rdm_write.o tce_prop_start.o tce_property.o tce_diagnose_t1.o tce_fourindex_driver.o tce_fock_create.o tce_multipole_create.o tce_reference_check.o tce_fourindex_cleanup.o tce_fock_destroy.o tce_multipole_destroy.o tce_create_t1.o tce_create_t2.o tce_create_t3.o tce_create_t4.o tce_create_x1.o tce_create_x2.o tce_create_x3.o tce_create_x4.o tce_create_y1.o tce_create_y2.o tce_create_y3.o tce_create_y4.o tce_clone_x1.o tce_clone_x2.o tce_clone_x3.o tce_clone_x4.o tce_clone_y1.o tce_clone_y2.o tce_clone_y3.o tce_clone_y4.o tce_t1_offset_new.o tce_t2_offset_new.o tce_t3_offset_new.o tce_t4_offset_new.o tce_x1_offset_new.o tce_x2_offset_new.o tce_x3_offset_new.o tce_x4_offset_new.o tce_y1_offset_new.o tce_y2_offset_new.o tce_y3_offset_new.o tce_y4_offset_new.o tce_ccsd_driver.o tce_ccsdt_driver.o tce_ccsdtq_driver.o tce_ccsd_perturbative.o tce_ccsd_lambda_perturbative.o tce_ccsd_lambda_driver.o tce_ccsdt_lambda_driver.o tce_ccsdtq_lambda_driver.o tce_ccsd_response_driver.o tce_ccsdt_response_driver.o tce_ccsdtq_response_driver.o tce_ccsd_symm_polar.o tce_ccsdt_symm_polar.o tce_ccsdtq_symm_polar.o tce_ccsd_lambda_response_driver.o tce_ccsd_asym_polar.o tce_ccsd_hyperpolar.o tce_ao2e_new.o tce_mo2e_new.o tce_tile_new.o tce_init_new.o tce_mo2e_zones_4a_disk_4s_new_patch.o tce_mo2e_zones_4a_disk_4s_new_patch_m2.o tce_mo2e_zones_4a_disk_4s_new_patch_m3.o tce_ao2e_disk.o tce_mo2e_disk.o tce_mo2e_disk_2eorb.o tce_mo2e_incore_2eorb.o tce_mo2e_incore_2eorb_split.o tce_mo2e_hybrid_2eorb_split.o tce_mo2e_offset_intorb_hybrid.o tce_mo2e_2emet3.o tce_mo2e_2emet3_n5.o tce_mo2e_2emet4.o tce_mo2e_2emet4_n5.o get_hash_block_ma.o ccsd_energy_loc.o cc2_energy.o ccsd_lambda.o ccsd_lr_alpha.o ccsd_qr_beta.o tce_dgeev.o tce_schmidt.o tensor_read_write.o tce_diis_act.o tce_mo2e_zones_4a_disk_ga_act.o tce_mo2e_zones_4a_disk_ga_chop_act.o tce_t2a_offset.o tce_x2a_offset.o new_ga4ind_N5.o new4ind_N5_osu.o tce_mo2e_zones_4a_disk_ga_N5.o tce_mo2e_zones_4a_disk_ga_chop_N5.o tce_eom_xguess.o tce_eom_yguess.o ma_transpose.o echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libtce.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/tce' Making libraries in bq gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/bq' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/bq' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/bq' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/bq' Making libraries in mm gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mm' Compiling mm_input.F... Compiling mm_data.F... mm_data.F:574:51: 574 | if(.not. rtdb_get(rtdb,'qmmm:qm_en',mt_dbl,1,eqmtot)) | 1 ...... 704 | if(.not.rtdb_get(rtdb,'neb:ibead',mt_int,1,ibead)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). mm_data.F:418:29: 289 | call ga_brdcst(msg_smd,e, | 2 ...... 418 | call ga_brdcst(msg_smd,g, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling mm_coords.F... Compiling mm_vdw.F... Compiling mm_bond.F... Compiling mm_bond_coords.F... Compiling mm_link.F... mm_link.F:550:49: 24 | if(.not.rtdb_get(rtdb,'mm:qmlink',mt_log,1,qmlink)) | 2 ...... 550 | if(.not.rtdb_get(rtdb,'mm:cutoff',mt_dbl,1,cut)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling mm_geom.F... Compiling mm_vdw_coords.F... Compiling mm_bq.F... Compiling mm_neb.F... mm_neb.F:46:52: 46 | if(.not.rtdb_get(rtdb,'neb:nbeads',mt_int,1,nbeads)) | 1 ...... 194 | if(.not.rtdb_get(rtdb,'mm:scnb_adjust',mt_log,1,scnb_adj)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). mm_neb.F:143:72: 143 | & call errquit("error getting crdparm "//pname,0 -1) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling mm_cons.F... mm_cons.F:68:29: 35 | if (.not. rtdb_get(irtdb,'qmmm:n_spring',mt_int,1,ns)) | 2 ...... 68 | + ns,dbl_mb(i_as))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mm' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmm.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmm.a mm_input.o mm_data.o mm_coords.o mm_vdw.o mm_bond.o mm_bond_coords.o mm_link.o mm_geom.o mm_vdw_coords.o mm_bq.o mm_neb.o mm_cons.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmm.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmm.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libmm.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mm' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/mm' Making libraries in cons gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cons' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cons' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cons' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/cons' Making libraries in perfm gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' gmake[2]: Nothing to be done for '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libperfm.a'. gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/perfm' Making libraries in dntmc gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dntmc' Compiling dntmc_input.F... dntmc_input.F:48:13: 48 | & nspecies)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:58:13: 58 | & nob)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:91:13: 91 | & temp)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dntmc_input.F:101:13: 101 | & mcsteps)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:133:11: 133 | & 0)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:144:13: 144 | & mprnt)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dntmc_input.F:155:11: 155 | & procrestart)) call errquit | 1 ...... 299 | & nmol)) call errquit | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dntmc_setgeom.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dntmc' Compiling gibbs.F... gibbs.F:2893:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:2894:41: 2892 | call ga_brdcst(msg_dntmc0+MSGDBL, PERCENT, mdtob(1), 0) | 2 2893 | call ga_brdcst(msg_dntmc1+MSGDBL, NDA, mdtob(NOB*nspc), 0) 2894 | call ga_brdcst(msg_dntmc2+MSGDBL, NDSIG, mdtob(NOB*nspc), 0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gibbs.F:4068:61: 2728 | & , dynamic)) | 2 ...... 4068 | if (.not. rtdb_get(rtdb, 'task:energy', mt_dbl, 1, unew)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gibbs.F:1195:45: 1195 | call ga_put(g_proc,myid+1,myid+1,1,1,util_sgroup_mygroup(),ld) | 1 ...... 2877 | call ga_put(g_pr,ilo,ihi,jlo,jhi,NUMBERAVR,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gibbs.F:1199:43: 1199 | call ga_get(g_proc,1,inodesbig,1,1,bigproc,ld) | 1 ...... 2882 | call ga_get(g_pr,ilo,ihi,jlo,jhi,TESTME,ld) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gibbs.F:1223:72: 1223 | &ga_destroy(g_proc) failed', GA_ERR) | 1 Warning: Missing actual argument for argument '_formal_3' at (1) gibbs.F:929:9: 929 | & dntSEED(1))) | 1 ...... 1546 | if(.not. rtdb_put(rtdb,'rtdb:stored:state',mt_log,3,ostate)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gibbs.F:4115:72: 4115 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.7086] *)_572][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:3322:72: 3322 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.7769] *)_548][0]' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1914:27: 1914 | IF((CONT2 .eq. 0).or.(new_markov_chain)) then | ^ Warning: 'new_markov_chain' may be used uninitialized [-Wmaybe-uninitialized] gibbs.F:1462:30: 1462 | logical new_markov_chain | ^ note: 'new_markov_chain' was declared here gibbs.F:1674:72: 1674 | DIST = DISTcalc(1) | ^ Warning: 'MEM[(real(kind=8)[0:D.8515] *)_493][0]' may be used uninitialized [-Wmaybe-uninitialized] gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dntmc' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dntmc' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdntmc.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdntmc.a dntmc_input.o dntmc_setgeom.o gibbs.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdntmc.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdntmc.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdntmc.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dntmc' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dntmc' Making libraries in dangchang gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dangchang' Compiling dc_initialize.F... Compiling dc_setgeom.F... gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dangchang' Compiling dc_energy.F... dc_energy.F:445:58: 441 | if (.not. rtdb_put(rtdb,'dangchang:energy',mt_dbl,1,UU)) | 2 ...... 445 | if (.not. rtdb_put(rtdb,'dangchang:dipole',mt_dbl,3,DCDIP)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dangchang' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dangchang' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdangchang.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdangchang.a dc_initialize.o dc_setgeom.o dc_energy.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdangchang.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdangchang.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdangchang.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dangchang' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dangchang' Making libraries in ccca gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ccca' Compiling task_ccca.F... task_ccca.F:69:27: 45 | + call errquit('task_ccca: rtdb_cput failed',0,RTDB_ERR) | 2 ...... 69 | + 'available.',0,RTDB_ERR) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(10)/INTEGER(8)). task_ccca.F:69:72: 69 | + 'available.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:77:72: 77 | + 'recognized.',0,RTDB_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) task_ccca.F:140:56: 99 | call ccca_err(rtdb_put(rtdb,'ccca:restart',MT_LOG,1,.true.), | 2 ...... 140 | call ccca_err(rtdb_put(rtdb,'ccca:stage',MT_INT,1,0),errcode) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ccca_utils.F... ccca_utils.F:1476:51: 1469 | if (.not.rtdb_put(rtdb,'ccca:nopen',mt_int,1,nopen)) | 2 ...... 1476 | if (.not.rtdb_put(rtdb,'ccca:therm',mt_log,1,therm)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). ccca_utils.F:1013:60: 1011 | if (rtdb_get(rtdb,'ccca:restart',MT_LOG,1,restart)) then | 2 1012 | if (restart) 1013 | $ call ccca_err(rtdb_get(rtdb,'ccca:stage',MT_INT,1,stage),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ccca' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libccca.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libccca.a task_ccca.o ccca_utils.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libccca.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libccca.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libccca.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ccca' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/ccca' Making libraries in dimqm gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dimqm' Compiling dimqm_input.F... dimqm_input.F:159:55: 153 | if (.not. rtdb_put(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 159 | if (.not. rtdb_put(rtdb, 'dimqm:alg', mt_int, 1, alg)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimpar_input.F... dimpar_input.F:265:38: 259 | $ mt_dbl, 3*iexp, expdata(1:3, 1:iexp))) | 2 ...... 265 | $ mt_int, 1, iexp)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_prep.F... dimqm_prep.F:238:33: 235 | $ mt_int, 1, iexp)) | 2 ...... 238 | $ 3*iexp, rawexpdie(1:3,1:iexp))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). dimqm_prep.F:68:63: 68 | if(.not. rtdb_get(rtdb,'dimpar:typeindex', mt_int, nDIM, tx)) | 1 ...... 235 | $ mt_int, 1, iexp)) | 2 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_prep.F:174:52: 162 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polc, 1) | 2 ...... 174 | call ga_put(g_DIM_diag, i+1, i+1, 1, 1, polr, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dimqm_main.F... dimqm_main.F:89:55: 81 | if(.not. rtdb_get(rtdb,'dimpar:coords',mt_dbl,i3,dimxyz)) | 2 ...... 89 | if(.not. rtdb_get(rtdb,'dimqm:lfirst',mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dimqm_main.F:191:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 191 | if (.not. rtdb_put(rtdb, 'dimqm:edimqm', MT_DBL, 1, edimqm)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_main.F:220:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) | 2 ...... 220 | if (.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). dimqm_main.F:244:72: 244 | $ call errquit("dimqm_main: can't free l_muold", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) dimqm_main.F:246:72: 246 | $ call errquit("dimqm_main: can't free l_eqmn", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling dimqm_polarizability.F... Compiling dimqm_f2d.F... Compiling dimqm_iterative.F... Compiling qmr_real.F... Compiling qmr_complex.F... qmr_complex.F:215:41: 144 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 215 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling matvecReal.F... matvecReal.F:59:62: 58 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 59 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling matvecComplex.F... matvecComplex.F:63:62: 62 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) | 2 63 | stat = rtdb_get(rtdb, 'dimpar:typeindex', mt_int, nDIM, tx) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_EqmE.F... Compiling t2.F... Compiling pphilo.F... Compiling dimqm_fldpot.F... Compiling dimqm_EqmN.F... Compiling dimqm_printAtomicDipoles.F... dimqm_printAtomicDipoles.F:63:23: 60 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 2 ...... 63 | $ elements)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(1)/INTEGER(8)). Compiling dimqm_energy.F... Compiling dimqm_printDipole.F... Compiling dimqm_Dens2Dipoles.F... Compiling dimqm_indDipoles.F... Compiling dimqm_printAtoms.F... dimqm_printAtoms.F:39:59: 37 | $ elements)) | 2 38 | $ call errquit('dimqm_print get names failed',1,RTDB_ERR) 39 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/CHARACTER(*)). Compiling dimqm_addop.F... dimqm_addop.F:294:63: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 294 | if(.not.rtdb_get(dimqm_rtdb,'dimpar:coords', mt_dbl, i3, dimxyz)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:333:48: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 333 | $ mt_dbl, i3, muold(:,:,1))) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:351:45: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) | 2 ...... 351 | $ mt_dbl, i3, muold(:,:,2))) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) dimqm_addop.F:581:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 581 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:582:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 582 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop.F:598:33: 576 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 598 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop.F:599:33: 577 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 599 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling dimqm_lclfld.F... dimqm_lclfld.F:199:21: 81 | call ga_zero(g_dipel_i) | 2 ...... 199 | call ga_zero(g_dim_r) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling seeded_qmr_real.F... seeded_qmr_real.F:121:38: 109 | if(.not.rtdb_get(rtdb,'seed:k'//dir, mt_int, 1, k)) | 2 ...... 121 | $ mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling qmr_seed_real.F... qmr_seed_real.F:188:37: 97 | if(.not.rtdb_put(rtdb,'seed:k'//dir, mt_int, 1, niter)) | 2 ...... 188 | $ mt_dbl, 1,sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling seeded_qmr_real_augment.F... seeded_qmr_real_augment.F:130:62: 120 | if(.not.rtdb_get(rtdb,'seed:k', mt_int, 1, k)) | 2 ...... 130 | if(.not.rtdb_get(rtdb,'seed:sin'//CHAR(j), mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). seeded_qmr_real_augment.F:342:49: 243 | if(.not.rtdb_put(rtdb,'seed:sin'//CHAR(k), mt_dbl, 1, sinn)) | 2 ...... 342 | if(.not.rtdb_put(rtdb,'seed:k', mt_int, 1, k)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling dimqm_tidy.F... Compiling qmr_seed_complex.F... qmr_seed_complex.F:202:36: 199 | $ mt_dcpl, 1, sinn)) | 2 ...... 202 | $ mt_dbl, 1, cosn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). qmr_seed_complex.F:263:41: 154 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) | 2 ...... 263 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling seeded_qmr_complex.F... seeded_qmr_complex.F:128:37: 116 | if(.not.rtdb_get(rtdb,'seed:k'//dir//'c', mt_int, 1, k)) | 2 ...... 128 | $ mt_dcpl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/INTEGER(8)). seeded_qmr_complex.F:155:34: 154 | call ga_brdcst(msg_dimqm, sinn, mdtob(2), 0) | 2 155 | call ga_brdcst(msg_dimqm, cosn, mdtob(1), 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). seeded_qmr_complex.F:292:41: 163 | call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) | 2 ...... 292 | call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). Compiling dimqm_broadcast.F... dimqm_broadcast.F:33:32: 13 | call ga_brdcst(msg_dimqm, ldimqm, 1, 0) | 2 ...... 33 | call ga_brdcst(msg_dimqm, alg, mitob1, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling CubicSpline.F... Compiling dim_fock_xc.F... Compiling dim_getv.F... Compiling dim_tabcd.F... Compiling dim_eval_fnl.F... Compiling dim_grid_quadv0.F... dim_grid_quadv0.F:279:24: 111 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) | 2 ...... 279 | $ dbl_mb(k_dimxyz))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dim_grid_quadv0.F:7:37: 7 | call dim_grid_quadv0_gen(rtdb, g_vdim, 1, 1, .false., 0, 1) | 1 Warning: Rank mismatch in argument 'g_vdim' at (1) (scalar and rank-1) Compiling dim_grid_quadv0a.F... Compiling dim_grid_quadv0b.F... Compiling dimqm_seeding.F... Compiling dimqm_rohf.F... dimqm_rohf.F:136:59: 44 | if(.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) | 2 ...... 136 | if (.not. rtdb_put(rtdb, 'dimqm:g_dim', mt_int, 1, g_dim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimqm_util.F... dimqm_util.F:73:57: 67 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) | 2 ...... 73 | if (.not. rtdb_get(rtdb, 'dimpar:ndim', mt_int, 1, ndim)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling dimqm_addop_uhf.F... dimqm_addop_uhf.F:454:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 454 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:455:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 455 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:471:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 471 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:472:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 472 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:979:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 979 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:980:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 980 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) dimqm_addop_uhf.F:998:33: 449 | $ g_dcv, 1, nbf, 1, nbf, | 2 ...... 998 | $ g_movecs, voff, nmo, 1, nbf, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) dimqm_addop_uhf.F:999:33: 450 | $ g_movecs, 1, nbf, 1, nclosed, | 2 ...... 999 | $ g_tmp1, 1, nbf, 1, nclosed, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dimqm' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdimqm.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdimqm.a dimqm_input.o dimpar_input.o dimqm_prep.o dimqm_main.o dimqm_polarizability.o dimqm_f2d.o dimqm_iterative.o qmr_real.o qmr_complex.o matvecReal.o matvecComplex.o dimqm_EqmE.o t2.o pphilo.o dimqm_fldpot.o dimqm_EqmN.o dimqm_printAtomicDipoles.o dimqm_energy.o dimqm_printDipole.o dimqm_Dens2Dipoles.o dimqm_indDipoles.o dimqm_printAtoms.o dimqm_addop.o dimqm_lclfld.o seeded_qmr_real.o qmr_seed_real.o seeded_qmr_real_augment.o dimqm_tidy.o qmr_seed_complex.o seeded_qmr_complex.o dimqm_broadcast.o CubicSpline.o dim_fock_xc.o dim_getv.o dim_tabcd.o dim_eval_fnl.o dim_grid_quadv0.o dim_grid_quadv0a.o dim_grid_quadv0b.o dimqm_seeding.o dimqm_rohf.o dimqm_util.o dimqm_addop_uhf.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdimqm.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdimqm.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libdimqm.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dimqm' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/dimqm' Making libraries in fcidump gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fcidump' Compiling fcidump_inp.F... Compiling task_fcidump.F... task_fcidump.F:78:11: 50 | if (.not. rtdb_get(rtdb, 'fcidump:mos', mt_log, 1, molecorb)) | 2 ...... 78 | $ vir_frozen)) then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). task_fcidump.F:88:11: 73 | $ occ_frozen)) | 2 ...... 88 | $ .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling fcidump_header.F... fcidump_header.F:104:56: 86 | if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge)) | 2 ...... 104 | if (.not. rtdb_get(rtdb, 'dft:mult', MT_INT, 1,mult)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fcidump' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libfcidump.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libfcidump.a fcidump_inp.o task_fcidump.o fcidump_header.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libfcidump.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libfcidump.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libfcidump.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fcidump' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/fcidump' Making libraries in gwmol gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gwmol' Compiling gwmol.F... Compiling ga_chol_inv_seq.F... Compiling gw_input.F... gw_input.F:64:54: 62 | if (.not.rtdb_put(rtdb, 'gw:evgw0', mt_log, 1, .true.)) | 2 63 | $ call errquit('gw_input: rtdb_put failed', 100, RTDB_ERR) 64 | if (.not.rtdb_put(rtdb, 'gw:eviter', mt_int, 1, eviter)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). gw_input.F:146:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 146 | if (.not. inp_i(noqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:150:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 150 | if (.not. inp_i(nvqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:162:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 162 | if (.not. inp_i(noqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_input.F:166:26: 57 | 100 if (.not. inp_i(eviter)) then | 2 ...... 166 | if (.not. inp_i(nvqp)) goto 8200 | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling gw_defaults.F... gw_defaults.F:29:46: 20 | ok = rtdb_put(rtdb,'gw:evgw0',mt_log,1,.false.).and. | 2 ...... 29 | & rtdb_put(rtdb,'gw:eviter',mt_int,1,4).and. | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling gw_init.F... gw_init.F:83:56: 80 | if (.not.rtdb_get(pars%rtdb,'gw:init',mt_log,1,init)) | 2 ...... 83 | if (.not.rtdb_get(pars%rtdb,'dft:energy',mt_dbl,1,pars%escf)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_init.F:325:34: 165 | call int_init(pars%rtdb, 1, cd_bas_han) | 2 ...... 325 | call int_init(pars%rtdb, 2, (/ao_bas_han, cd_bas_han/)) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling gw_finalize.F... Compiling gw_memory.F... Compiling gw_vxc.F... Compiling gw_donewton.F... Compiling gw_cdgw.F... Compiling gw_cdgw_buildin.F... Compiling gw_cdgw_newton.F... gw_cdgw_newton.F:87:28: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 87 | call ga_brdcst(1038,clusters, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_cdgw_newton.F:173:32: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 173 | call ga_brdcst(1038,lvars,2*logs,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling gw_cdgw_graph.F... gw_cdgw_graph.F:200:32: 182 | call ga_brdcst(1038,lvars,2*logs,0) | 2 ...... 200 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling gw_analytic.F... Compiling gw_analytic_newton.F... gw_analytic_newton.F:104:28: 103 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 104 | call ga_brdcst(1038,clusters, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gw_analytic_newton.F:204:32: 103 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 204 | call ga_brdcst(1038,lvars,2*logs,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling gw_analytic_graph.F... gw_analytic_graph.F:141:32: 128 | call ga_brdcst(1038,converged,logs,0) | 2 ...... 141 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gwmol' Compiling gw_ri_init.F... gw_ri_init.F:188:72: 188 | offk = k_buf + offset*nij | ^ Warning: 'offset' may be used uninitialized [-Wmaybe-uninitialized] gw_ri_init.F:31:39: 31 | integer g_3ceris,shlo,shhi,offset,ld | ^ note: 'offset' was declared here Compiling gw_invdiag.F... Compiling gw_tools.F... Compiling gw_analytic_wmn.F... Compiling gw_analytic_sigmac.F... Compiling gw_analytic_addrpa.F... Compiling gw_analytic_ovscale.F... Compiling gw_analytic_rpa.F... Compiling gw_analytic_scalxpy.F... Compiling gw_analytic_sigmac_graph.F... Compiling gw_minres.F... gw_minres.F:96:46: 96 | call gw_aprod(OV1,factor,x,y,-4d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:98:46: 98 | call gw_aprod(OV1,factor,x,y,-2d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:170:47: 170 | call gw_aprod(OV1,factor,v,y,4d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:172:47: 172 | call gw_aprod(OV1,factor,v,y,2d0,0d0,npoles,n) | 1 Warning: Rank mismatch in argument 'npoles' at (1) (scalar and rank-1) gw_minres.F:344:28: 291 | call ga_brdcst(1038,istop,ma_sizeof(mt_int,1,mt_byte),0) | 2 ...... 344 | call ga_brdcst(1038,x,ma_sizeof(mt_dbl,n,mt_byte),0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling gw_cdgw_buildrn_graph.F... Compiling gw_cdgw_buildiw.F... Compiling gw_cdgw_buildin_graph.F... Compiling gw_cdgw_buildpi.F... gw_cdgw_buildpi.F:298:20: 298 | elseif (dorfp) then | ^ Warning: 'dorfp' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildpi.F:40:22: 40 | logical ok,dorfp | ^ note: 'dorfp' was declared here Compiling gw_cdgw_buildrn_minres.F... gw_cdgw_buildrn_minres.F:207:28: 173 | call ga_brdcst(1038,skip,ma_sizeof(mt_log,1,mt_byte),0) | 2 ...... 207 | call ga_brdcst(1038,vector,ma_sizeof(mt_dbl,nri,mt_byte),root) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). gw_cdgw_buildrn_minres.F:192:72: 192 | $ (0.5d0/(temp - arg))**2) ) | ^ Warning: 'dfactor.offset' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildrn_minres.F:57:71: 57 | ISOGW,allocatable,dimension(:,:) :: factor, dfactor | ^ note: 'dfactor.offset' was declared here gw_cdgw_buildrn_minres.F:192:72: 192 | $ (0.5d0/(temp - arg))**2) ) | ^ Warning: 'dfactor.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] gw_cdgw_buildrn_minres.F:57:71: 57 | ISOGW,allocatable,dimension(:,:) :: factor, dfactor | ^ note: 'dfactor.dim[1].stride' was declared here gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gwmol' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gwmol' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libgwmol.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libgwmol.a gwmol.o ga_chol_inv_seq.o gw_input.o gw_defaults.o gw_init.o gw_finalize.o gw_memory.o gw_vxc.o gw_donewton.o gw_cdgw.o gw_cdgw_buildin.o gw_cdgw_newton.o gw_cdgw_graph.o gw_analytic.o gw_analytic_newton.o gw_analytic_graph.o gw_ri_init.o gw_invdiag.o gw_tools.o gw_analytic_wmn.o gw_analytic_sigmac.o gw_analytic_addrpa.o gw_analytic_ovscale.o gw_analytic_rpa.o gw_analytic_scalxpy.o gw_analytic_sigmac_graph.o gw_minres.o gw_cdgw_buildrn_graph.o gw_cdgw_buildiw.o gw_cdgw_buildin_graph.o gw_cdgw_buildpi.o gw_cdgw_buildrn_minres.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libgwmol.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libgwmol.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/libgwmol.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gwmol' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/gwmol' Making libraries in 64to32blas gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' Compiling yscal.F... Compiling ycopy.F... Compiling ydot.F... Compiling ygemm.F... Compiling ygemv.F... Compiling iyamax.F... Compiling ygesv.F... Compiling ygesvd.F... Compiling yaxpy.F... Compiling yspsvx.F... Compiling yposv.F... Compiling ysyev.F... Compiling ysyevd.F... Compiling yger.F... Compiling yrot.F... Compiling ylaset.F... Compiling yswap.F... Compiling ygebak.F... Compiling ygebal.F... Compiling ynrm2.F... Compiling ylacpy.F... Compiling ylascl.F... Compiling ylange.F... Compiling ytrevc.F... Compiling yhseqr.F... Compiling yorghr.F... Compiling ygehrd.F... Compiling ysterf.F... Compiling ylarnv.F... Compiling ylagtf.F... Compiling ylagts.F... Compiling yasum.F... Compiling ypotri.F... Compiling ypotrf.F... Compiling ysygv.F... Compiling ygeev.F... Compiling ygeevx.F... Compiling ygels.F... Compiling ygelss.F... Compiling ygtsv.F... Compiling ypftrf.F... Compiling ypftri.F... Compiling ytfsm.F... Compiling ygetrf.F... Compiling ygetri.F... Compiling ygetrs.F... Compiling ifily.F... Compiling jscal.F... Compiling jaxpy.F... Compiling jgemm.F... Compiling jheev.F... Compiling jcopy.F... Compiling jdotc.F... Compiling ijamax.F... Compiling jgesvd.F... Compiling jgeev.F... Compiling jgetrs.F... Compiling jgetrf.F... Compiling jlacpy.F... Compiling ysfrk.F... Compiling ysysv.F... Compiling ysytrf.F... Compiling ysytrs.F... Compiling ysymm.F... Compiling ysymv.F... Compiling ysyr2k.F... Compiling ytrmm.F... Compiling ytrtri.F... Compiling jlacp2.F... Compiling ysyrk.F... Compiling jsyrk.F... Compiling jsysv.F... Compiling jsytrf.F... gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/64to32blas' gmake[2]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/64to32blas' GNUmakefile:27: warning: overriding recipe for target 'sngl_to_dbl' ../config/makelib.h:307: warning: ignoring old recipe for target 'sngl_to_dbl' GNUmakefile:27: warning: overriding recipe for target 'dbl_to_sngl' ../config/makelib.h:307: warning: ignoring old recipe for target 'dbl_to_sngl' GNUmakefile:27: warning: overriding recipe for target '64_to_32' ../config/makelib.h:307: warning: ignoring old recipe for target '64_to_32' GNUmakefile:27: warning: overriding recipe for target '32_to_64' ../config/makelib.h:307: warning: ignoring old recipe for target '32_to_64' Got lock on /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/lib64to32.lock ar rU /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/lib64to32.a yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o ysyevd.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ygels.o ygelss.o ygtsv.o ypftrf.o ypftri.o ytfsm.o ygetrf.o ygetri.o ygetrs.o ifily.o jscal.o jaxpy.o jgemm.o jheev.o jcopy.o jdotc.o ijamax.o jgesvd.o jgeev.o jgetrs.o jgetrf.o jlacpy.o ysfrk.o ysysv.o ysytrf.o ysytrs.o ysymm.o ysymv.o ysyr2k.o ytrmm.o ytrtri.o jlacp2.o ysyrk.o jsyrk.o jsysv.o jsytrf.o ar: warning: creating /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/lib64to32.a echo /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/lib64to32.a /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/lib64to32.a gmake[2]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/64to32blas' gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/64to32blas' /usr/local/bin/gmake nwchem.o stubs.o gmake[1]: Entering directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src' gfortran13 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -g -fno-aggressive-loop-optimizations -I. -I/usr/local/include -I/usr/local/include -I/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DMPICH_NO_ATTR_TYPE_TAGS -DNOIO -DEAFHACK -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DUSE_LIBXC -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/..'" -DNWCHEM_BRANCH="'7.2.3'" -c -o nwchem.o nwchem.F gfortran13 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -g -fno-aggressive-loop-optimizations -I. -I/usr/local/include -I/usr/local/include -I/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/include -I/usr/local/include -I/usr/local/include -I/usr/local/include -DMPICH_NO_ATTR_TYPE_TAGS -DNOIO -DEAFHACK -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DUSE_LIBXC -DBLAS_NOTHREADS -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/..'" -DNWCHEM_BRANCH="'7.2.3'" -c -o stubs.o stubs.F gmake[1]: Leaving directory '/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src' gfortran13 -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -g -fno-aggressive-loop-optimizations -Wl,-rpath=/usr/local/lib/gcc13 -L/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64 -L/usr/local/lib/gcc13 -L/usr/local/lib -o /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -l64to32 -L/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/ -lnwclapack -L/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../lib/LINUX64/ -lnwcblas -lcomex -lblas -lm -L/usr/local/lib -lpthread -lnwcutil -L/usr/local/lib -lpython3.11 -lintl -ldl -L/usr/local/lib -lintl -lutil -lm -L/wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../src/libext/libxc/install/lib -lnwc_xcf03 -lnwc_xc -L/usr/local/lib/gcc13 -L/usr/local/lib -lmpifort -lmpi -L/usr/local/lib -lhwloc /bin/rm -f nwchem.o stubs.o =========================================================================== =================================================== ===== env: USE_PACKAGE_DEPENDS_ONLY=1 USER=root UID=0 GID=0 ===> nwchem-7.2.3_2 depends on package: nwchem-data>0 - not found ===> Installing existing package /packages/All/nwchem-data-7.2.3.pkg [pkg-builder.dan.net.uk] Installing nwchem-data-7.2.3... [pkg-builder.dan.net.uk] Extracting nwchem-data-7.2.3: .......... done ===> nwchem-7.2.3_2 depends on package: nwchem-data>0 - found ===> Returning to build of nwchem-7.2.3_2 ===> nwchem-7.2.3_2 depends on executable: gfortran13 - found ===> nwchem-7.2.3_2 depends on file: /usr/local/bin/python3.11 - found =========================================================================== =================================================== ===== env: NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Staging for nwchem-7.2.3_2 ===> Generating temporary packing list install -m 0644 /wrkdirs/usr/ports/science/nwchem/work/nwchemrc /wrkdirs/usr/ports/science/nwchem/work/stage/usr/local/etc/nwchemrc install -s -m 555 /wrkdirs/usr/ports/science/nwchem/work/nwchem-7.2.3/src/../bin/LINUX64/nwchem /wrkdirs/usr/ports/science/nwchem/work/stage/usr/local/bin/nwchem ====> Compressing man pages (compress-man) =========================================================================== =================================================== ===== env: 'PKG_NOTES=build_timestamp ports_top_git_hash ports_top_checkout_unclean port_git_hash port_checkout_unclean built_by' 'PKG_NOTE_build_timestamp=2025-04-30T23:24:12+0000' 'PKG_NOTE_ports_top_git_hash=5529c5919b' 'PKG_NOTE_ports_top_checkout_unclean=yes' 'PKG_NOTE_port_git_hash=6cce1f5b22' 'PKG_NOTE_port_checkout_unclean=no' 'PKG_NOTE_built_by=poudriere-git-3.4.2' NO_DEPENDS=yes USER=root UID=0 GID=0 ===> Building packages for nwchem-7.2.3_2 ===> Building nwchem-7.2.3_2 =========================================================================== =>> Cleaning up wrkdir ===> Cleaning for nwchem-7.2.3_2 build of science/nwchem | nwchem-7.2.3_2 ended at Thu May 1 01:31:15 BST 2025 build time: 01:07:04