Diff of the two buildlogs: -- --- b1/build.log 2024-11-08 08:07:00.805308575 +0000 +++ b2/build.log 2024-11-08 10:52:00.528572038 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Wed Dec 10 22:24:37 -12 2025 -I: pbuilder-time-stamp: 1765448677 +I: Current time: Fri Nov 8 22:07:21 +14 2024 +I: pbuilder-time-stamp: 1731053241 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -34,52 +34,84 @@ dpkg-source: info: applying 32bit_overflow_n2_ccsd_2824153.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/497647/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/1901406/tmp/hooks/D01_modify_environment starting +debug: Running on codethink04-arm64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Nov 8 08:08 /bin/sh -> /bin/bash +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/1901406/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/1901406/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='arm64' - DEBIAN_FRONTEND='noninteractive' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="32" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") + BASH_VERSION='5.2.32(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='72549944c612412fbb0d00308ee239ab' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='497647' - PS1='# ' - PS2='> ' + INVOCATION_ID=a0c6bb7c6eff493e8a0bdfe6ad2208ba + LANG=C + LANGUAGE=nl_BE:nl + LC_ALL=C + MACHTYPE=aarch64-unknown-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=1901406 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.GEVoBfQ3/pbuilderrc_Uc5o --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.GEVoBfQ3/b1 --logfile b1/build.log nwchem_7.2.3-6.dsc' - SUDO_GID='109' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://192.168.101.4:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.GEVoBfQ3/pbuilderrc_bqVk --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.GEVoBfQ3/b2 --logfile b2/build.log nwchem_7.2.3-6.dsc' + SUDO_GID=109 + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://192.168.101.4:3128 I: uname -a - Linux codethink03-arm64 6.1.0-26-cloud-arm64 #1 SMP Debian 6.1.112-1 (2024-09-30) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-26-cloud-arm64 #1 SMP Debian 6.1.112-1 (2024-09-30) aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Aug 4 2024 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/497647/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Aug 4 21:30 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/1901406/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -308,7 +340,7 @@ Get: 155 http://deb.debian.org/debian unstable/main arm64 python3.12-dev arm64 3.12.7-2 [505 kB] Get: 156 http://deb.debian.org/debian unstable/main arm64 python3-dev arm64 3.12.6-1 [26.1 kB] Get: 157 http://deb.debian.org/debian unstable/main arm64 libscalapack-mpich-dev arm64 2.2.1-5 [10.7 kB] -Fetched 140 MB in 1s (111 MB/s) +Fetched 140 MB in 1s (216 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.12-minimal:arm64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20089 files and directories currently installed.) @@ -822,8 +854,8 @@ Setting up tzdata (2024b-3) ... Current default time zone: 'Etc/UTC' -Local time is now: Thu Dec 11 10:28:08 UTC 2025. -Universal Time is now: Thu Dec 11 10:28:08 UTC 2025. +Local time is now: Fri Nov 8 08:08:58 UTC 2024. +Universal Time is now: Fri Nov 8 08:08:58 UTC 2024. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... @@ -982,7 +1014,11 @@ fakeroot is already the newest version (1.36-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/reproducible-path/nwchem-7.2.3/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../nwchem_7.2.3-6_source.changes +I: user script /srv/workspace/pbuilder/1901406/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/1901406/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/nwchem-7.2.3/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../nwchem_7.2.3-6_source.changes dpkg-buildpackage: info: source package nwchem dpkg-buildpackage: info: source version 7.2.3-6 dpkg-buildpackage: info: source distribution unstable @@ -1005,24 +1041,24 @@ echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG cp census.skeleton ../stubs.F -echo "# Request modules from user: pnnl" >> nwchem_config.h +cp util_module_avail_F.begin ../util/util_module_avail.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/$routine/g stub.skeleton >> ../stubs.F ; \ done -echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol" >> nwchem_config.h -cp util_module_avail_F.begin ../util/util_module_avail.F -echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lfcidump -lgwmol" >> nwchem_config.h echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F -echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG -echo "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done -echo The following subdirectories are built: >> NWCHEM_CONFIG -echo "CONFIG_LIBS = " >> nwchem_config.h +echo "# Request modules from user: pnnl" >> nwchem_config.h +echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG cat util_module_avail_F.end >> ../util/util_module_avail.F +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 The following subdirectories are built: >> NWCHEM_CONFIG +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 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 "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo corresponding to these libraries: >> NWCHEM_CONFIG +echo "CONFIG_LIBS = " >> nwchem_config.h 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 @@ -1073,7 +1109,6 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/basis' Making realclean in geom make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/geom' -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a make clean @@ -1091,7 +1126,6 @@ Making realclean in inp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/inp' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies -libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/inp' @@ -1127,7 +1161,6 @@ rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/pstat' -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ] ; then \ echo 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 | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwcutil.a ; \ @@ -1185,7 +1218,6 @@ rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwctask.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/task' -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwctask.a ] ; then \ echo 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 | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwctask.a ; \ @@ -1716,7 +1748,6 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/atomscf' Making realclean in ddscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/ddscf' -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies Making realclean in fast make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/ddscf/fast' @@ -1759,7 +1790,6 @@ Making realclean in gradients make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/gradients' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies -libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libgradients.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/gradients' @@ -1775,8 +1805,6 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/gradients' Making realclean in moints make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/moints' -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmoints.a make clean @@ -1793,7 +1821,6 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/moints' Making realclean in nwdft make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft' -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I./include -I./grid -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies Making realclean in include make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/include' @@ -2257,7 +2284,6 @@ rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwdft.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft' -libfakeroot internal error: payload not recognized! Making clean in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwdft/include' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt @@ -2525,7 +2551,6 @@ rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/librimp2.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/rimp2' -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/librimp2.a ] ; then \ echo 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| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/librimp2.a ; \ @@ -2539,14 +2564,9 @@ Making realclean in stepper make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/stepper' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libstepper.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/stepper' -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libstepper.a ] ; then \ echo 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 | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libstepper.a ; \ @@ -2563,8 +2583,6 @@ rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdriver.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/driver' -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdriver.a ] ; then \ echo 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 | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdriver.a ; \ @@ -2718,14 +2736,10 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/optim' Making realclean in cphf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/cphf' -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcphf.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/cphf' -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcphf.a ] ; then \ echo cphf.o cphf_poliz.o cphf_solve.o cphf_solve2.o cphf_solve3.o cphf_solve4.o | xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libcphf.a ; \ @@ -2742,8 +2756,6 @@ rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libccsd.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/ccsd' -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libccsd.a ] ; then \ echo 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| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libccsd.a ; \ @@ -2756,15 +2768,10 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/ccsd' Making realclean in vib make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/vib' -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies -libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libvib.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/vib' -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libvib.a ] ; then \ echo 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| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libvib.a ; \ @@ -2777,10 +2784,7 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/vib' Making realclean in mcscf make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mcscf' -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I../ddscf -I./detci -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies -libfakeroot internal error: payload not recognized! Making realclean in detci make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mcscf/detci' rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a @@ -2799,10 +2803,6 @@ rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmcscf.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mcscf' -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! Making clean in detci make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mcscf/detci' rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt @@ -2826,12 +2826,9 @@ Making realclean in prepar make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/prepar' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies -libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libprepar.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/prepar' -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libprepar.a ] ; then \ echo 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| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libprepar.a ; \ @@ -2845,11 +2842,9 @@ Making realclean in esp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/esp' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies -libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libesp.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/esp' -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libesp.a ] ; then \ echo 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| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libesp.a ; \ @@ -2862,7 +2857,6 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/esp' Making realclean in hessian make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/hessian' -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies Making realclean in analytic make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/hessian/analytic' @@ -2940,12 +2934,9 @@ Making realclean in selci make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/selci' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libselci.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/selci' -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt conf htoa if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libselci.a ] ; then \ echo 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| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libselci.a ; \ @@ -2958,13 +2949,10 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/selci' Making realclean in dplot make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/dplot' -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdplot.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/dplot' -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdplot.a ] ; then \ echo 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| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libdplot.a ; \ @@ -2977,15 +2965,10 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/dplot' Making realclean in mp2_grad make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mp2_grad' -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmp2.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/mp2_grad' -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmp2.a ] ; then \ echo 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| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libmp2.a ; \ @@ -2998,13 +2981,10 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/mp2_grad' Making realclean in qhop make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/qhop' -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqhop.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/qhop' -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqhop.a ] ; then \ echo qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqhop.a ; \ @@ -3017,16 +2997,10 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/qhop' Making realclean in property make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/property' -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libproperty.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/property' -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libproperty.a ] ; then \ echo 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| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libproperty.a ; \ @@ -3039,12 +3013,7 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/property' Making realclean in solvation make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/solvation' -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I../nwdft/include -I../ddscf -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libsolvation.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/solvation' @@ -3117,7 +3086,6 @@ rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a make clean make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/nwpwlib/Pneb' -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ] ; then \ echo Pneb.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpwlib.a ; \ @@ -7297,7 +7265,6 @@ make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/kbpp' Making clean in makepsi make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwpw/band/makepsi' -libfakeroot internal error: payload not recognized! rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ] ; then \ echo c_wvfnc_new.o c_wvfnc_expander.o c_wvfnc_adjust.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o| xargs -n 300 ar d /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libband.a ; \ @@ -7527,8 +7494,6 @@ Making realclean in fft make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft' /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! Making realclean in pfft1.0 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0' Making realclean in fftpack @@ -7614,8 +7579,6 @@ rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libpfft.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft' -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! Making clean in pfft1.0 make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/fft/pfft1.0' Making clean in fftpack @@ -7668,9 +7631,7 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/fft' Making realclean in python make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/python' -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/include/python3.12 -I/usr/include/python3.12 -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies -libfakeroot internal error: payload not recognized! rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwpython.a make clean make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/python' @@ -7686,7 +7647,6 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/python' Making realclean in analyz make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/analyz' -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libanalyze.a make clean @@ -7703,8 +7663,6 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/analyz' Making realclean in nwmd make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/nwmd' -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libnwmd.a make clean @@ -7785,7 +7743,6 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/src/vscf' Making realclean in qmmm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/src/qmmm' -libfakeroot internal error: payload not recognized! /build/reproducible-path/nwchem-7.2.3/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/src/tools/install/include > dependencies rm -f -f *~ \#*\# makefile.bak /build/reproducible-path/nwchem-7.2.3/lib/LINUX64/libqmmm.a make clean @@ -9334,15 +9291,25 @@ `hostname` at `date` > nwchem_config.h echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG +cp census.skeleton ../stubs.F +cp util_module_avail_F.begin ../util/util_module_avail.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/$routine/g stub.skeleton >> ../stubs.F ; \ +done +echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F +for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ + echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ + done echo "# Request modules from user: pnnl" >> 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 "# Request modules from user: pnnl" >> NWCHEM_CONFIG -echo "CONFIG_LIBS = " >> nwchem_config.h +cat util_module_avail_F.end >> ../util/util_module_avail.F +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 The following subdirectories are built: >> NWCHEM_CONFIG +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 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 "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo corresponding to these libraries: >> NWCHEM_CONFIG +echo "CONFIG_LIBS = " >> nwchem_config.h 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 @@ -9350,16 +9317,6 @@ 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 make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config' ***warning LIBMPI ignored since FORCE_MPI_ENV not set*** ***warning MPI_LIB ignored since FORCE_MPI_ENV not set*** @@ -9371,13 +9328,19 @@ echo \# This configuration generated automatically on \ `hostname` at `date` > NWCHEM_CONFIG cp census.skeleton ../stubs.F -echo "# Request modules from user: pnnl" >> nwchem_config.h -echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG +cp util_module_avail_F.begin ../util/util_module_avail.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/$routine/g stub.skeleton >> ../stubs.F ; \ done +echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F +for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ + echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ + done +echo "# Request modules from user: pnnl" >> nwchem_config.h +echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG 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 The following subdirectories are built: >> NWCHEM_CONFIG +cat util_module_avail_F.end >> ../util/util_module_avail.F 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 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 "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h @@ -9390,12 +9353,6 @@ 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 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 (\""$module"\")" >> ../util/util_module_avail.F ; \ - done -cat util_module_avail_F.end >> ../util/util_module_avail.F make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/config' make[2]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' @@ -9410,10 +9367,10 @@ ***warning MPI_INCLUDE ignored since FORCE_MPI_ENV not set*** test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64 test -d /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64 -test -d /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64 -./util/util_nwchem_version.bash Making libraries in include make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include' +test -d /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64 || mkdir -p /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64 +./util/util_nwchem_version.bash for dir in include basis geom inp input pstat rtdb task symmetry util peigs perfm bq cons NWints atomscf ddscf gradients moints nwdft rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property solvation nwpw fft python analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq mm cons perfm dntmc dangchang ccca dimqm fcidump gwmol 64to32blas; do \ echo Making include_stamp in /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/$dir ; \ (cd /build/reproducible-path/nwchem-7.2.3/build-openmpi/src/$dir; make SKIP_COMPILERS=1 include_stamp) ; \ @@ -10896,27 +10853,25 @@ Compiling bas_blasP.F... Compiling bas_vec_info.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -10927,6 +10882,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] bas_checksum.F:45:43: 44 | call checksum_update(ltob, bas_spherical(basis)) @@ -10934,6 +10891,16 @@ 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)). +basisP.F:427:72: + + 427 | end + | ^ +Warning: '__result_nbf_from_ucont' may be used uninitialized [-Wmaybe-uninitialized] +basisP.F:380:37: + + 380 | integer function nbf_from_ucont(ucont,basisin) + | ^ +note: '__result_nbf_from_ucont' was declared here basis.F:2081:62: 2057 | status = status .and. rtdb_put(rtdb,tmp,mt_int,1,ntagsin) @@ -10950,16 +10917,6 @@ 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)). -basisP.F:427:72: - - 427 | end - | ^ -Warning: '__result_nbf_from_ucont' may be used uninitialized [-Wmaybe-uninitialized] -basisP.F:380:37: - - 380 | integer function nbf_from_ucont(ucont,basisin) - | ^ -note: '__result_nbf_from_ucont' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/basis' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/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 @@ -10971,17 +10928,22 @@ Making libraries in geom make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom' Compiling geom.F... +Compiling geom_input.F... +Compiling geom_input2.F... +Compiling geom_3d.F... +Compiling geom_2d.F... +Compiling geom_1d.F... +Compiling geom_numcore.F... +Compiling geom_checksum.F... +Compiling geom_print_ecce.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling geom_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling geom_input2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling geom_3d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -10990,23 +10952,18 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling geom_2d.F... -Compiling geom_1d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling geom_numcore.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling geom_checksum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling geom_print_ecce.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -11016,6 +10973,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling geom_fragment.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling geom_getsym.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] geom_numcore.F:107:51: 100 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then @@ -11032,17 +10999,8 @@ 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_fragment.F... -Compiling geom_getsym.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] geom_freeze.F:54:49: 50 | if (rtdb_get(rtdb, a_name , MT_LOG, 1, status)) then @@ -11051,7 +11009,6 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom' @@ -11105,6 +11062,26 @@ 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_hnd.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). geom_input.F:4587:12: 4587 | IF(ATOMIC) WRITE(IW,*) 'THIS IS AN ATOM' @@ -11220,26 +11197,6 @@ 6955 | double precision err1, xmax, xmax1 | ^ note: 'xmax1' was declared here -Compiling geom_hnd.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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)). make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/geom' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.lock @@ -11258,12 +11215,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling inp.F... +Compiling inp_irange.F... +Compiling inp_ilist.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling inp_irange.F... -Compiling inp_ilist.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -11273,10 +11234,6 @@ 27 | data xback /'\\'/ ! Backslash ... note backslash for cpp | 1 Warning: Initialization string at (1) was truncated to fit the variable (1/2) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] inp.F:1370:37: 1369 | do i = 1, 3*max_width+80+6 @@ -11316,53 +11273,37 @@ Making libraries in input make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/input' Compiling input_parse.F... +Compiling input_mem.F... +Compiling memory_input.F... +Compiling input_set.F... +Compiling input_title.F... +Compiling get_inp_file.F... +Compiling memory_def.F... +Compiling speech_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling input_mem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling memory_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling input_set.F... -Compiling input_title.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling get_inp_file.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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)). -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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling memory_def.F... -Compiling speech_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -11371,6 +11312,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). input_set.F:153:21: 153 | if (.not. status) call errquit @@ -11381,6 +11330,14 @@ 17 | logical status ! accumulates return codes | ^ note: 'status' was declared here +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)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/input' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwctask.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/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 @@ -11392,32 +11349,34 @@ Making libraries in pstat make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pstat_term.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pstat_alloc.F... -Compiling pstat_on.F... +Compiling pstat_free.F... +Compiling pstat_pr_han.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pstat_off.F... +Compiling pstat_pr_det.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pstat_pr_all.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pstat_free.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -11426,12 +11385,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pstat_pr_han.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pstat_pr_det.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -11445,8 +11402,8 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/pstat' Making libraries in rtdb make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb' -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb' Making all in hdbm +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb/hdbm' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rtdb/hdbm' Compiling rtdb_f2c.c... @@ -11466,10 +11423,10 @@ rtdb.h:145:38: note: previously declared as an array 'char[36]' 145 | extern int rtdb_getfname(const int, char [36]); | ^~~~~~~~~ -rtdb_seq.c: In function 'ma_print': context.c:135:13: warning: 'context_print' defined but not used [-Wunused-function] 135 | static void context_print() | ^~~~~~~~~~~~~ +rtdb_seq.c: In function 'ma_print': rtdb_seq.c:137:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 137 | nprint += fprintf(file, "%d ", ((Integer *) p)[i]); | ~^ ~~~~~~~~~~~~~~~~~~ @@ -11547,53 +11504,130 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/task' Compiling task_energy.F... Compiling task_gradient.F... +Compiling task_optimize.F... +Compiling task_freq.F... +Compiling task_hessian.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling task_dynamics.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task_optimize.F... +Compiling task_et.F... +Compiling task_thermo.F... +Compiling task_save_state.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task_freq.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task_hessian.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task_dynamics.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling task.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task_thermo.F... -Compiling task_save_state.F... -task_gradient.F:560:50: +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling task_input.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling task_shell_input.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +task_hessian.F:246:53: - 320 | $ numerical)) numerical = .false. - | 2 + 180 | if (.not. rtdb_get(rtdb,'bsse',mt_log,1,task_bsse)) + | 2 ...... - 560 | if (.not. rtdb_get(rtdb, key, mt_dbl, 1, energy)) - | 1 + 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)). +task_hessian.F:302:72: + + 302 | end + | ^ +Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] +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)). -task_gradient.F:66:57: +task_hessian.F:166:20: - 66 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) - | 1 + 166 | logical status, ignore, numerical, analytic + | ^ +note: 'status' was declared here +task_dynamics.F:94:61: + + 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) + | 2 ...... - 567 | if (.not. rtdb_put(rtdb, 'task:dipole', mt_dbl,3,dipole(1))) - | 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)). +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_et.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)). +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)). task_energy.F:284:59: 281 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) @@ -11602,10 +11636,6 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] task_energy.F:68:57: 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) @@ -11638,101 +11668,38 @@ 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_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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task.F... -task_dynamics.F:94:61: +task_gradient.F:560:50: - 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) - | 2 + 320 | $ numerical)) numerical = .false. + | 2 ...... - 94 | if (.not. rtdb_put(rtdb, 'task:cputime', mt_dbl, 1, cpu)) - | 1 + 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)). -Compiling task_input.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -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: +task_gradient.F:66:57: - 184 | if (.not. rtdb_put(rtdb,'bsse',mt_log,1,.false.)) - | 2 + 66 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) + | 1 ...... - 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] + 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_num_grad.F... +Compiling task_vscf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task_shell_input.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)). -task_hessian.F:302:72: - - 302 | end - | ^ -Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] -task_hessian.F:166:20: - - 166 | logical status, ignore, numerical, analytic - | ^ -note: 'status' was declared here +Compiling task_property.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_num_grad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task_vscf.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_dntmc.F... task_optimize.F:160:63: 123 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) @@ -11741,13 +11708,13 @@ 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_property.F... +Compiling task_bsse.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling task_jefftce.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling task_dntmc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -11755,8 +11722,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task_bsse.F... -Compiling task_jefftce.F... task_dntmc.F:77:61: 61 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) @@ -11765,10 +11730,23 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling task_ncc.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -11789,32 +11767,11 @@ 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)). -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_ncc.F... Compiling task_rfcf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling task_gwmol.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -11904,40 +11861,26 @@ Making libraries in symmetry make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/symmetry' Compiling dosymops.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gensym.f... Compiling gensym_extra.F... Compiling sym_vec_sym.F... +Compiling ludcmp.F... +Compiling mprint.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling opprint.f... +Compiling sym_put_geom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ludcmp.F... -Compiling mprint.f... +Compiling spgen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling opprint.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_put_geom.F... -Compiling spgen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -11947,52 +11890,70 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_nwc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling sym_nwc.F... Compiling sym_apply_op.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -gensym.f:314:13: - - 314 | isym=nops*3 - | ^ -Warning: 'isym' may be used uninitialized [-Wmaybe-uninitialized] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -sym_vec_sym.F:99:36: +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +gensym_extra.F:59:10: - 99 | integer isphcart, i_nbf_per_sh - | ^ -Warning: 'i_nbf_per_sh' may be used uninitialized [-Wmaybe-uninitialized] + 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_get_cart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_grp_name.F... +Compiling sym_ap_cart.F... +sym_vec_sym.F:99:36: + + 99 | integer isphcart, i_nbf_per_sh + | ^ +Warning: 'i_nbf_per_sh' may be used uninitialized [-Wmaybe-uninitialized] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling sym_cent_map.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_ap_cart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_cent_map.F... Compiling sym_num_ops.F... +Compiling sym_ops_get.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_ops_get.F... +gensym.f:314:13: + + 314 | isym=nops*3 + | ^ +Warning: 'isym' may be used uninitialized [-Wmaybe-uninitialized] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12000,28 +11961,24 @@ Compiling sym_op_get.F... Compiling sym_pr_all.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_geom_prj.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cross_prod.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cross_prod.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling sym_op_cname.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_op_cname.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12032,52 +11989,62 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling deter3.F... -Compiling sym_op_clsfy.F... -Compiling sym_tr_bs_op.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling sym_op_clsfy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling sym_tr_bs_op.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_bs_irrep.F... Compiling sym_op_type.F... +Compiling sym_char_tab.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_char_tab.F... +Compiling sym_pr_ctab.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_pr_ctab.F... -Compiling sym_inv_op.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling sym_inv_op.F... Compiling sym_mo_adapt.F... +Compiling sym_g_sym.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_g_sym.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wrcell.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dctr.f... +Compiling sym_irrepname.F... sym_bs_irrep.F:165:72: 165 | n = n + nbf_per_ir(ir) @@ -12088,16 +12055,6 @@ 25 | integer class, op, ir, itrace, i | ^ note: 'itrace' was declared here -Compiling dctr.f... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_irrepname.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12109,10 +12066,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sym_mol.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/symmetry' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/symmetry' sym_mo_adapt.F:324:30: 323 | call ga_igop(msg_sym_1, nmixed, 1, '+') @@ -12122,21 +12079,21 @@ Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_bas_op.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_bs_ir_id.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_sh_pair.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12157,54 +12114,54 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' Compiling output.f... Compiling errquit.F... +Compiling ffflush.F... +Compiling print_center.F... +Compiling util_flush.F... +Compiling util_sgroup.F... +Compiling util_host.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ffflush.F... -Compiling print_center.F... +Compiling util_date.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_flush.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_sgroup.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_host.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_date.c... Compiling input_echo.F... -Compiling util_transpose.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_transpose.F... Compiling ga_iter_diag.F... +Compiling ga_maxelt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling nga_idamax.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ga_maxelt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nga_idamax.F... +Compiling ga_pcg_min.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ga_pcg_min.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12212,19 +12169,17 @@ Compiling line_search.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ga_orth_vec.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ga_orth_vec.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ga_ran_fill.F... -Compiling ga_mix.F... ga_iter_diag.F:377:72: 377 | end @@ -12235,20 +12190,26 @@ 83 | logical converged | ^ note: 'converged' was declared here -Compiling ga_list.F... +Compiling ga_ran_fill.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ga_mix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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_list.F... Compiling ga_it_proj.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] util_sgroup.F:168:54: 166 | if(.not.rtdb_put(rtdb,'dft:largenode',mt_log,1,.true.)) @@ -12257,20 +12218,11 @@ 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 ga_screen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_get_diag.F... +Compiling ga_screen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12279,20 +12231,32 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ga_get_diag.F... Compiling fortchar.c... Compiling seq_output.F... -Compiling ga_mat2col.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_ch_brd.F... +Compiling ga_mat2col.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_ch_brd.F... Compiling two_ind_trn.F... +fortchar.c: In function 'fcrcv_': +fortchar.c:125:47: warning: array subscript 256 is above array bounds of 'char[256]' [-Warray-bounds=] + 125 | } while ( clength == lenbuf && cstring[clength] != '\0'); + | ~~~~~~~^~~~~~~~~ +fortchar.c:106:10: note: while referencing 'cstring' + 106 | char cstring[FC_MAXLEN]; + | ^~~~~~~ +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -12309,13 +12273,6 @@ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling util_pname.F... -fortchar.c: In function 'fcrcv_': -fortchar.c:125:47: warning: array subscript 256 is above array bounds of 'char[256]' [-Warray-bounds=] - 125 | } while ( clength == lenbuf && cstring[clength] != '\0'); - | ~~~~~~~^~~~~~~~~ -fortchar.c:106:10: note: while referencing 'cstring' - 106 | char cstring[FC_MAXLEN]; - | ^~~~~~~ Compiling sread.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -12326,7 +12283,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling banner.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12339,33 +12295,34 @@ 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 f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -cp util_v_stub.F util_version.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_nwchem_version.F... Compiling util_ga_version.F... +Compiling util_nwchem_paper.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_nwchem_paper.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_nwchem_srcdir.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_nwchem_srcdir.F... Compiling utilc_nwchem_srcdir.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -12377,26 +12334,30 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ma_solve.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ma_solve.F... Compiling ga_local_mdot.F... -Compiling util_cpusec.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_cpusec.F... +Compiling util_wallsec.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_wallsec.F... mk_fit_xf.F:95:10: 95 | If (Type .eq. 1) then @@ -12418,10 +12379,6 @@ | ^ note: 'dosplit' was declared here Compiling gather.f... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scatter.f... Compiling ga_trace_dg.F... Compiling lcopy.f... @@ -12438,49 +12395,50 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_legal.F... +Compiling util_file_name.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_file_name.F... Compiling util_io_unit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_speak.c... Compiling util_rtdb_speak.F... +Compiling util_file_copy.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_file_copy.c... +Compiling util_file_unlink.c... +Compiling util_system.c... util_legal.F:335:16: 335 | do while (next_line(ibegin,iend,ilen,',',newchr(1:len_newchr))) | ^ Warning: 'len_newchr' may be used uninitialized [-Wmaybe-uninitialized] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] util_legal.F:316:24: 316 | integer len_newchr | ^ note: 'len_newchr' was declared here -Compiling util_file_unlink.c... -Compiling util_system.c... -util_file_copy.c: In function 'util_file_parallel_copy': Compiling util_sleep.c... +util_file_copy.c: In function 'util_file_parallel_copy': +Compiling util_rtdb_state.F... util_file_copy.c:86:34: warning: unused variable 'msgbuf' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~ util_file_copy.c:86:22: warning: unused variable 'msgnread' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~~~ -Compiling util_rtdb_state.F... Compiling ecce_print.c... +Compiling util_random.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12492,13 +12450,12 @@ util_system.c:39:9: warning: unused variable 'i' [-Wunused-variable] 39 | int i; | ^ -Compiling util_random.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling util_job.F... +Compiling util_getenv.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_getenv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12508,12 +12465,13 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_nwchemrc.F... +Compiling util_md.F... +Compiling util_md_c.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_nwchemrc.F... -Compiling util_md.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12522,40 +12480,39 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_md_c.c... Compiling util_md_sockets.c... Compiling dgewr.F... Compiling atoi.F... -Compiling indint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling indint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_wall_remain.c... +Compiling ga_normf.F... +Compiling corr_mk_ref.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ga_normf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling corr_mk_ref.F... -Compiling nw_inp_from_file.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling bgj.F... +Compiling nw_inp_from_file.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling bgj.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12566,7 +12523,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling moeig_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12579,10 +12535,31 @@ 384 | $ NFrzVir) ) Then | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). +nw_inp_from_file.F:46:72: + + 46 | end + | ^ +Warning: '__result_nw_inp_from_characte' may be used uninitialized [-Wmaybe-uninitialized] +nw_inp_from_file.F:1:44: + + 1 | logical function nw_inp_from_character(rtdb, string) + | ^ +note: '__result_nw_inp_from_characte' was declared here +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 moeig_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_debug.c... +Compiling util_erf.F... util_md.F:118:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') @@ -12615,34 +12592,6 @@ 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_debug.c... -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)). -nw_inp_from_file.F:46:72: - - 46 | end - | ^ -Warning: '__result_nw_inp_from_characte' may be used uninitialized [-Wmaybe-uninitialized] -nw_inp_from_file.F:1:44: - - 1 | logical function nw_inp_from_character(rtdb, string) - | ^ -note: '__result_nw_inp_from_characte' was declared here -Compiling util_erf.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)). bgj.F:399:60: 69 | & 1, itype)) then @@ -12657,11 +12606,19 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_cflush.c... Compiling util_ascii_plot.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling util_length_scale.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_length_scale.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12672,25 +12629,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_lkain_ext.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ma_print.F... -Compiling freeze_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ga_extra.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling freeze_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ga_extra.F... freeze_input.F:83:51: 59 | if (.not. rtdb_put(rtdb, key, mt_log, 1, .true.)) @@ -12699,6 +12652,10 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_test.F... Compiling util_ga_test.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12716,17 +12673,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_ndim_test.F... +Compiling util_perf_test.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_perf_test.F... -Compiling util_test_lu.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_test_eig.F... +Compiling util_test_lu.F... ga_it2.F:969:55: 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) @@ -12811,11 +12767,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_dra_test.F... +Compiling util_test_eig.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -12900,45 +12852,7 @@ 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)). -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... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_sf_test.F... -Compiling ga_lkain_2cpl3.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_dra_test.F... util_ga_test.F:1198:35: 1198 | call ga_get(g_a, 1, n, 1, n, b, n) @@ -13011,6 +12925,15 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_eaf_test.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] util_eaf_test.F:371:30: 190 | $ DMAP(iter), @@ -13043,14 +12966,52 @@ 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)). +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)). +Compiling util_sf_test.F... +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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ga_lkain_2cpl3.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling util_io.F... -Compiling util_xyz.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_xyz.F... Compiling util_ma.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -13087,16 +13048,12 @@ 1301 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_lkain_2cpl3_ext.F... -Compiling util_dgeev.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_dgeev.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -13131,46 +13088,46 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 ao_1prdm_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ao_1prdm_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ao_1prdm_write.F... -Compiling util_strips.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_poltensor.F... +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_strips.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_poltensor.F... +Compiling util_mygop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_mygop.F... -Compiling util_isnan.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_isnan.c... Compiling util_blasthreads.F... Compiling util_gpu_affinity.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -13178,42 +13135,42 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling util_scalapack.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_scalapack.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_norm2.F... +Compiling util_dpofa.F... +Compiling util_dgedi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_dpofa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_dgedi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling linux_cpu.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling linux_cpu.c... Compiling linux_shift.F... +Compiling linux_random.c... +Compiling erfc.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling linux_random.c... -Compiling erfc.c... Compiling linux_printaff.c... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' Making all in md5 -Compiling util_version.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' +Compiling util_version.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -13298,59 +13255,65 @@ md5wrap.c:116:13: warning: 'checksum_string_to_sum' defined but not used [-Wunused-function] 116 | static void checksum_string_to_sum(const char csum[33], unsigned char sum[16]) | ^~~~~~~~~~~~~~~~~~~~~~ -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' /build/reproducible-path/nwchem-7.2.3/build-openmpi/bin/LINUX64/depend.x -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' +Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.lock +ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a md5wrap.o md5.o Compiling ga_matpow.F... +Compiling util_pack.F... +Compiling dabssum.F... +Compiling dabsmax.F... +Compiling dfill.F... +Compiling ifill.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_pack.F... -Compiling dabssum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dabsmax.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling mabyte_fill.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dfill.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ifill.f... +Compiling zfill.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mabyte_fill.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zfill.f... Compiling ga_it_lsolve.F... +Compiling ga_it_orth.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ga_it_orth.F... -Compiling ga_orthog.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a +/build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a +make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' +make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' +Compiling ga_orthog.F... Compiling idamin.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -13358,14 +13321,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_jacobi.F... Compiling util_rsg.f... -Compiling stpr_sjacobi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling stpr_sjacobi.F... Compiling util_memcpy.c... -Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.lock -ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a md5wrap.o md5.o +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ga_it_lsolve.F:235:72: 235 | convg_ratio = rnorm/rnorm_prev @@ -13376,10 +13341,6 @@ 77 | double precision rnorm, rnorm_prev, bnorm, convg_ratio | ^ note: 'rnorm_prev' was declared here -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ga_accback.c... Compiling ga_asymmetr.c... Compiling util_gnxtval.c... @@ -13389,49 +13350,51 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_mirror.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 f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -nxtask.F:36:30: Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] Compiling ga_copy_dz.F... Compiling dgami.f... -echo /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a -/build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a -Compiling util_eri_cholesky.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' -make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' +Compiling util_eri_cholesky.F... Compiling util_test_cholesky.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 f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_sillysort.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_sillysort.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling util_talker.c... +nxtask.F:36:30: Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] Compiling icopy.f... +util_talker.c: In function 'util_talker_': +util_talker.c:23:19: warning: unused variable 'valread' [-Wunused-variable] + 23 | int sock = 0, valread; + | ^~~~~~~ Compiling dsum.f... +Compiling dgefa.f... +Compiling zsum.f... util_mirror.F:24:23: 24 | call nga_inquire(g_a, type, ndim, dims) @@ -13440,12 +13403,6 @@ 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 dgefa.f... -util_talker.c: In function 'util_talker_': -Compiling zsum.f... -util_talker.c:23:19: warning: unused variable 'valread' [-Wunused-variable] - 23 | int sock = 0, valread; - | ^~~~~~~ dgami.f:351:72: 351 | DCSEVL = 0.5D0*(B0-B2) @@ -13506,74 +13463,12 @@ Compiling clustrxx5.c... Compiling clustrxx4.c... Compiling pstein4.c... -clustrfix.c: In function 'clustrfix_': -clustrfix.c:365:23: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-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]); - | ~^ ~~~~~~~~~~~~~~~~ - | | | - | int Integer {aka long int} - | %ld -clustrfix.c:365:30: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-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]); - | ~^ ~~~~~~~~~~~~~~~~~~ - | | | - | int Integer {aka long int} - | %ld -clustrfix.c:365:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-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]); - | ~^ ~~~~~~~~~~~~~~~~~~ - | | | - | int Integer {aka long int} - | %ld -clustrfix.c:365:42: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-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]); - | ~^ ~~~~~~~~~~~~~~~~~~ - | | | - | int Integer {aka long int} - | %ld -clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] - 139 | DoublePrecision eps, xj1, xj2; - | ^~~ -clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] - 134 | Integer me; - | ^~ -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:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] - 127 | Integer jblk, nblk; - | ^~~~ -clustrfix.c: At top level: -clustrfix.c:62:16: warning: 'clustr_check' defined but not used [-Wunused-function] - 62 | static Integer clustr_check(c1, cn, imin, imax) - | ^~~~~~~~~~~~ -mgscs.c: In function 'mgscs': Compiling pstein5.c... -mgscs.c:184:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 184 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld Compiling peigs_dlasq1.c... -pscale.c: In function 'pscale_': -pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] - 232 | nproc, msize, maxinfo; - | ^~~~~~~ -pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] - 232 | nproc, msize, maxinfo; - | ^~~~~ -pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] - 231 | Integer il, linfo, me, - | ^~ -pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] - 231 | Integer il, linfo, me, - | ^~~~~ -clustrxx5.c: In function 'clustrinv5_': Compiling b_ortho.c... -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; - | ^~~~ +Compiling chol_bcst.c... +Compiling choleski9.c... +Compiling ci_entry.c... clustrxx4.c: In function 'clustrinv4_': clustrxx4.c:84:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 84 | DoublePrecision eps; @@ -13584,7 +13479,7 @@ clustrxx4.c:78:15: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~~~ -Compiling chol_bcst.c... +pscale.c: In function 'pscale_': pstein5.c: In function 'pstein5': pstein5.c:232:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", @@ -13616,6 +13511,19 @@ | ~~ | | | Integer {aka long int} +pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] + 232 | nproc, msize, maxinfo; + | ^~~~~~~ +pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] + 232 | nproc, msize, maxinfo; + | ^~~~~ +pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] + 231 | Integer il, linfo, me, + | ^~ +mgscs.c: In function 'mgscs': +pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] + 231 | Integer il, linfo, me, + | ^~~~~ pstein5.c:300:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 300 | printf( " %s me = %d argument %d has an illegal value. \n", | ~^ @@ -13626,6 +13534,12 @@ | ~~~~~~ | | | Integer {aka long int} +mgscs.c:184:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 184 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld pstein5.c:444:29: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ @@ -13636,7 +13550,6 @@ | ~~ | | | Integer {aka long int} -Compiling choleski9.c... pstein5.c:444:58: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", | ~^ @@ -13657,37 +13570,47 @@ | ~~~~~~~ | | | Integer {aka long int} -peigs_dlasq1.c: In function 'peigs_dlasq1': -Compiling ci_entry.c... -peigs_dlasq1.c:33:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] - 33 | printf(" error in ylasq1 info = %d \n", *info ); - | ~^ ~~~~~ - | | | - | int Integer {aka long int} - | %ld -peigs_dlasq1.c:34:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 34 | sprintf( filename, "pdspevx.%d", me); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld -peigs_dlasq1.c:37:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 37 | fprintf(file, " %d %20.16f %20.16f \n", iii, dplus[iii], lplus[iii]); - | ~^ ~~~ - | | | - | int Integer {aka long int} - | %ld -peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] - 12 | Integer i, j, iii, me, nproc; - | ^~~~~ -peigs_dlasq1.c:39:5: warning: pointer 'file' used after 'fclose' [-Wuse-after-free] - 39 | fflush(file); - | ^~~~~~~~~~~~ -peigs_dlasq1.c:38:5: note: call to 'fclose' here - 38 | fclose(file); - | ^~~~~~~~~~~~ -Compiling conjug22.c... -Compiling de_sym.c... +clustrfix.c: In function 'clustrfix_': +clustrfix.c:365:23: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-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]); + | ~^ ~~~~~~~~~~~~~~~~ + | | | + | int Integer {aka long int} + | %ld +clustrxx5.c: In function 'clustrinv5_': +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; + | ^~~~ +clustrfix.c:365:30: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-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]); + | ~^ ~~~~~~~~~~~~~~~~~~ + | | | + | int Integer {aka long int} + | %ld +clustrfix.c:365:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-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]); + | ~^ ~~~~~~~~~~~~~~~~~~ + | | | + | int Integer {aka long int} + | %ld +clustrfix.c:365:42: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-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]); + | ~^ ~~~~~~~~~~~~~~~~~~ + | | | + | int Integer {aka long int} + | %ld +clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] + 139 | DoublePrecision eps, xj1, xj2; + | ^~~ +clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] + 134 | Integer me; + | ^~ +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:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] + 127 | Integer jblk, nblk; + | ^~~~ b_ortho.c: In function 'b_ortho': b_ortho.c:190:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", @@ -13719,18 +13642,23 @@ | ~~ | | | Integer {aka long int} -chol_bcst.c: In function 'chol_pipe_bcast': -chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] - 97 | Integer *junk, k, isize; - | ^~~~~ choleski9.c: In function 'sub_chol0': choleski9.c:292:17: warning: variable 'root' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~ +clustrfix.c: At top level: +clustrfix.c:62:16: warning: 'clustr_check' defined but not used [-Wunused-function] + 62 | static Integer clustr_check(c1, cn, imin, imax) + | ^~~~~~~~~~~~ choleski9.c:292:9: warning: variable 'length' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~~~ +chol_bcst.c: In function 'chol_pipe_bcast': ci_entry.c: In function 'ci_entry': +chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] + 97 | Integer *junk, k, isize; + | ^~~~~ +peigs_dlasq1.c: In function 'peigs_dlasq1': ci_entry.c:122:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 122 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); | ~^ ~~~ @@ -13782,6 +13710,24 @@ | int Integer {aka long int} | %ld ci_entry.c: In function 'fil_mapvec_': +peigs_dlasq1.c:33:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] + 33 | printf(" error in ylasq1 info = %d \n", *info ); + | ~^ ~~~~~ + | | | + | int Integer {aka long int} + | %ld +peigs_dlasq1.c:34:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 34 | sprintf( filename, "pdspevx.%d", me); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +peigs_dlasq1.c:37:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 37 | fprintf(file, " %d %20.16f %20.16f \n", iii, dplus[iii], lplus[iii]); + | ~^ ~~~ + | | | + | int Integer {aka long int} + | %ld ci_entry.c:396:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 396 | printf(" Peigs: fil_mapvec_ node %d : first argument is NULL \n", mxmynd_()); | ~^ ~~~~~~~~~ @@ -13794,12 +13740,18 @@ | | | | int Integer {aka long int} | %ld +peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] + 12 | Integer i, j, iii, me, nproc; + | ^~~~~ ci_entry.c:402:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld +peigs_dlasq1.c:39:5: warning: pointer 'file' used after 'fclose' [-Wuse-after-free] + 39 | fflush(file); + | ^~~~~~~~~~~~ ci_entry.c:402:60: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~ @@ -13812,10 +13764,6 @@ | | | | int Integer {aka long int} | %ld -de_sym.c: In function 'un_load': -de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] - 250 | Integer indx, jndx, j, k, icount; - | ^~~~~~ ci_entry.c:408:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 408 | printf(" Peigs: fil_mapvec_ node %d : 2nd argument is NULL i\n", *me); | ~^ ~~~ @@ -13828,6 +13776,9 @@ | | | | int Integer {aka long int} | %ld +peigs_dlasq1.c:38:5: note: call to 'fclose' here + 38 | fclose(file); + | ^~~~~~~~~~~~ ci_entry.c:413:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem second argument is invalid \n", *me); | ~^ ~~~ @@ -13897,6 +13848,9 @@ | | | | int Integer {aka long int} | %ld +Compiling conjug22.c... +Compiling de_sym.c... +Compiling exit.c... conjug22.c: In function 'lsl_conjugation2': conjug22.c:95:41: warning: variable 'iptr' set but not used [-Wunused-but-set-variable] 95 | Integer *iscrat, *mapvecA, *mapvecB, *iptr; @@ -13904,7 +13858,10 @@ conjug22.c:94:34: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 94 | Integer i, me, nvecsA, nvecsB, linfo, id; | ^~~~~ -Compiling exit.c... +de_sym.c: In function 'un_load': +de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] + 250 | Integer indx, jndx, j, k, icount; + | ^~~~~~ Compiling exit2.c... Compiling forLL.c... exit.c: In function 'g_exit2_': @@ -13958,7 +13915,6 @@ Compiling lu_mxm2.c... Compiling mapdif.c... Compiling mapdif1.c... -Compiling matmax.c... inverse.c: In function 'pipe_bcst_prev_col': inverse.c:91:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 91 | Integer *junk, *ptr, k, isize; @@ -13967,34 +13923,21 @@ inverse.c:225:11: warning: variable 'length' set but not used [-Wunused-but-set-variable] 225 | Integer length; | ^~~~~~ -mapdif1.c: In function 'mapdif1_': -Compiling mdif2b.c... -mapdif1.c:79:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] - 79 | Integer me; - | ^~ mapdif.c: In function 'mapdif_': mapdif.c:77:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 77 | Integer me; | ^~ +mapdif1.c: In function 'mapdif1_': +mapdif1.c:79:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] + 79 | Integer me; + | ^~ +Compiling matmax.c... +Compiling mdif2b.c... Compiling mdiff1.c... Compiling mdiff2.c... Compiling memreq.c... Compiling memreq_f.c... Compiling mgs5.c... -Compiling mxm25.c... -memreq_f.c: In function 'fmemreq_': -memreq_f.c:168:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 168 | fprintf(stderr, " me = %d error in mapB in fmemreq.c \n", me); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld -memreq_f.c:184:31: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 184 | fprintf(stderr, " me = %d error in mapZ in fmemreq.c \n",me); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld memreq.c: In function 'memreq_': memreq.c:181:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 181 | fprintf(stderr, " me = %d error in mapB in memreq.c \n",me); @@ -14038,14 +13981,26 @@ 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_f.c: In function 'fmemreq_': +memreq_f.c:168:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 168 | fprintf(stderr, " me = %d error in mapB in fmemreq.c \n", me); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +memreq_f.c:184:31: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 184 | fprintf(stderr, " me = %d error in mapZ in fmemreq.c \n",me); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +Compiling mxm25.c... Compiling mxm5x.c... Compiling mxm88.c... Compiling mxm_ll1.c... Compiling onenorm.c... Compiling ortho.c... Compiling pdspev_c.c... -Compiling pdspevx.c... -Compiling pdspgv_c.c... ortho.c: In function 'ortho': ortho.c:162:44: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", @@ -14077,72 +14032,9 @@ | ~~ | | | Integer {aka long int} -pdspev_c.c: In function 'pdspev': +Compiling pdspevx.c... +Compiling pdspgv_c.c... pdspevx.c: In function 'pdspevx': -pdspev_c.c:287:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld -pdspev_c.c:287:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); - | ~^ ~~~~~~ - | | | - | int Integer {aka long int} - | %ld -pdspev_c.c:315:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", - | ~^ - | | - | int - | %ld - 316 | msg, me, -linfo); - | ~~ - | | - | Integer {aka long int} -pdspev_c.c:315:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", - | ~^ - | | - | int - | %ld - 316 | msg, me, -linfo); - | ~~~~~~ - | | - | Integer {aka long int} -pdspev_c.c:341:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 342 | msg, me, -linfo); - | ~~ - | | - | Integer {aka long int} -pdspev_c.c:341:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 342 | msg, me, -linfo); - | ~~~~~~ - | | - | Integer {aka long int} -pdspev_c.c:357:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 357 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld -pdspev_c.c:382:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 382 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld pdspevx.c:353:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 353 | sprintf( filename, "pdspevx.%d", me); | ~^ ~~ @@ -14150,9 +14042,6 @@ | int Integer {aka long int} | %ld Compiling pdspgvx.c... -pdspev_c.c:206:28: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] - 206 | iub, nproc, isize, nvecsA, nvecsZ, linfo, maxinfo, - | ^~~~~ pdspevx.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ @@ -14225,7 +14114,64 @@ | | | | int Integer {aka long int} | %ld +Compiling pdsptri.c... +pdspevx.c:937:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +pdspevx.c:937:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); + | ~^ ~~~~~ + | | | + | int Integer {aka long int} + | %ld +pdspevx.c:1068:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +pdspevx.c:1068:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); + | ~^ ~~~~~ + | | | + | int Integer {aka long int} + | %ld pdspgv_c.c: In function 'pdspgv': +pdspevx.c:289:13: warning: variable 'iscale' set but not used [-Wunused-but-set-variable] + 289 | Integer iscale; + | ^~~~~~ +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:288:48: warning: variable 'rmax' 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:288:37: warning: variable 'eps' set but not used [-Wunused-but-set-variable] + 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; + | ^~~ +pdspevx.c:278:21: warning: variable 'fnormA' set but not used [-Wunused-but-set-variable] + 278 | DoublePrecision fnormA; + | ^~~~~~ +pdspevx.c:268:39: warning: variable 'nvecsZ2' set but not used [-Wunused-but-set-variable] + 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, + | ^~~~~~~ +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:267:14: warning: variable 'nZ2' set but not used [-Wunused-but-set-variable] + 267 | isize, nZ2, + | ^~~ +pdspevx.c:266:7: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] + 266 | nproc, itmp, + | ^~~~~ +Compiling peigs_cmod.f... +pdspev_c.c: In function 'pdspev': pdspgv_c.c:319:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ @@ -14266,12 +14212,6 @@ | ~~~~~~ | | | Integer {aka long int} -pdspevx.c:937:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld pdspgv_c.c:386:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ @@ -14307,57 +14247,73 @@ 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; | ^~~~~ -pdspevx.c:937:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); - | ~^ ~~~~~ - | | | - | int Integer {aka long int} - | %ld -pdspevx.c:1068:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); - | ~^ ~~ - | | | - | int Integer {aka long int} +pdspev_c.c:287:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +pdspev_c.c:287:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); + | ~^ ~~~~~~ + | | | + | int Integer {aka long int} + | %ld +pdspev_c.c:315:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", + | ~^ + | | + | int + | %ld + 316 | msg, me, -linfo); + | ~~ + | | + | Integer {aka long int} +pdspev_c.c:315:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 315 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", + | ~^ + | | + | int + | %ld + 316 | msg, me, -linfo); + | ~~~~~~ + | | + | Integer {aka long int} +pdspev_c.c:341:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", + | ~^ + | | + | int | %ld -pdspevx.c:1068:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 1068 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); - | ~^ ~~~~~ - | | | - | int Integer {aka long int} - | %ld -pdspevx.c:289:13: warning: variable 'iscale' set but not used [-Wunused-but-set-variable] - 289 | Integer iscale; - | ^~~~~~ -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:288:48: warning: variable 'rmax' 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:288:37: warning: variable 'eps' set but not used [-Wunused-but-set-variable] - 288 | DoublePrecision smlnum, bignum, eps, rmin, rmax, anrm; - | ^~~ -pdspevx.c:278:21: warning: variable 'fnormA' set but not used [-Wunused-but-set-variable] - 278 | DoublePrecision fnormA; - | ^~~~~~ -pdspevx.c:268:39: warning: variable 'nvecsZ2' set but not used [-Wunused-but-set-variable] - 268 | mapZ_0, nvecsQ, nvecsA, nvecsZ, nvecsZ2, - | ^~~~~~~ -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:267:14: warning: variable 'nZ2' set but not used [-Wunused-but-set-variable] - 267 | isize, nZ2, - | ^~~ -pdspevx.c:266:7: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] - 266 | nproc, itmp, - | ^~~~~ -Compiling pdsptri.c... -Compiling peigs_cmod.f... -Compiling pipe_fut.c... + 342 | msg, me, -linfo); + | ~~ + | | + | Integer {aka long int} +pdspev_c.c:341:48: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 341 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 342 | msg, me, -linfo); + | ~~~~~~ + | | + | Integer {aka long int} +pdspev_c.c:357:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 357 | fprintf( stderr, " %s me = %d mapA,Z differ \n", msg, me ); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +pdspev_c.c:382:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 382 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %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, + | ^~~~~ pdspgvx.c: In function 'pdspgvx': pdspgvx.c:422:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", @@ -14379,27 +14335,6 @@ | ~~~~~~ | | | Integer {aka long int} -pdsptri.c: In function 'pdsptri': -pdsptri.c:350:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 351 | msg, me, -linfo ); - | ~~ - | | - | Integer {aka long int} -pdsptri.c:350:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 351 | msg, me, -linfo ); - | ~~~~~~ - | | - | Integer {aka long int} pdspgvx.c:466:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ @@ -14410,16 +14345,6 @@ | ~~ | | | Integer {aka long int} -pdsptri.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", - | ~^ - | | - | int - | %ld - 414 | msg, me, -linfo); - | ~~ - | | - | Integer {aka long int} pdspgvx.c:466:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 466 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", | ~^ @@ -14430,16 +14355,6 @@ | ~~~~~~ | | | Integer {aka long int} -pdsptri.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", - | ~^ - | | - | int - | %ld - 414 | msg, me, -linfo); - | ~~~~~~ - | | - | Integer {aka long int} pdspgvx.c:512:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ @@ -14450,12 +14365,6 @@ | ~~ | | | Integer {aka long int} -pdsptri.c:534:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld pdspgvx.c:512:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 512 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", | ~^ @@ -14472,6 +14381,7 @@ | | | | int Integer {aka long int} | %ld +pdsptri.c: In function 'pdsptri': pdspgvx.c:557:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 557 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); | ~^ ~~ @@ -14490,6 +14400,7 @@ | | | | int Integer {aka long int} | %ld +Compiling pipe_fut.c... pdspgvx.c:740:38: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~^ ~~ @@ -14502,18 +14413,64 @@ | | | | int Integer {aka long int} | %ld +pdsptri.c:350:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 351 | msg, me, -linfo ); + | ~~ + | | + | Integer {aka long int} pdspgvx.c:828:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~ | | | | int Integer {aka long int} | %ld +pdsptri.c:350:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 351 | msg, me, -linfo ); + | ~~~~~~ + | | + | Integer {aka long int} pdspgvx.c:828:61: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld +pdsptri.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", + | ~^ + | | + | int + | %ld + 414 | msg, me, -linfo); + | ~~ + | | + | Integer {aka long int} +pdsptri.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", + | ~^ + | | + | int + | %ld + 414 | msg, me, -linfo); + | ~~~~~~ + | | + | Integer {aka long int} +pdsptri.c:534:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld pdsptri.c:534:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ @@ -14535,19 +14492,15 @@ Compiling pmmLSL.c... Compiling pmmLUL.c... Compiling pmmlsl2.c... -Compiling pxerbla.c... pipe_fut.c: In function 'pipe_bcst_fut_col': pipe_fut.c:85:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 85 | Integer *junk, *ptr, k, isize; | ^~~~~ +Compiling pxerbla.c... pmmLSL.c: In function 'pmmLSL': 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; | ^~~~~~ -pmmLUL.c: In function 'pmmLUL': -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; - | ^~~~~~ pmmlsl2.c: In function 'pmmlsl2': pmmlsl2.c:91:28: warning: variable 'scratch' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision *d_ptr, *scratch, *buff, **b_ptr, **matrix2; @@ -14555,6 +14508,10 @@ pmmlsl2.c:90:48: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] 90 | Integer me, isize, indx, nvecsA, nvecsB; | ^~~~~~ +pmmLUL.c: In function 'pmmLUL': +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; + | ^~~~~~ Compiling qsort.c... Compiling resid.c... pxerbla.c: In function 'pxerbla2_': @@ -14570,31 +14527,56 @@ Compiling soluf.c... Compiling sonenorm.c... Compiling soort.c... +Compiling sort.c... soluf.c: In function 'upperUF_': soluf.c:91:19: warning: variable 'safeulp' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision safeulp; | ^~~~~~~ -Compiling sort.c... Compiling sorteig.c... Compiling tred22.c... +sorteig.c: In function 'sorteig': +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, + | ^~~~~~ +Compiling treesort3.c... sort.c: In function 'G_count': sort.c:43:18: warning: variable 'k' set but not used [-Wunused-but-set-variable] 43 | Integer i, j, *k; | ^ -Compiling treesort3.c... -sorteig.c: In function 'sorteig': Compiling tresid.c... +tred22.c: In function 'tred2': +tred22.c:328:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 328 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +tred22.c:354:43: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 354 | sprintf(msg, "TRED22:Error in argument %d \n", linfo); + | ~^ ~~~~~ + | | | + | int Integer {aka long int} + | %ld Compiling util.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, - | ^~~~~~ -Compiling xerbla.c... -Compiling mapchk.c... treesort3.c: In function 'reduce_list3': treesort3.c:109:12: warning: variable 'junk' set but not used [-Wunused-but-set-variable] 109 | Integer *junk, k, num_indx; | ^~~~ +Compiling xerbla.c... +Compiling mapchk.c... +tresid.c: In function 'tresid': +tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] + 118 | DoublePrecision t, derror, normA, ulp, dumb; + | ^~~~ +mapchk.c: In function 'mapchk_': +mapchk.c:59:3: warning: this 'for' clause does not guard... [-Wmisleading-indentation] + 59 | for (indx = 0; indx < *n; indx++ ) + | ^~~ +mapchk.c:64:6: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for' + 64 | iptr++; + | ^~~~ Compiling pdiff.c... +Compiling pgexit.c... xerbla.c: In function 'xerbla': xerbla.c:45:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 45 | fprintf(stdout, " processor %d \n", mxmynd_()); @@ -14602,8 +14584,6 @@ | | | | int Integer {aka long int} | %ld -Compiling pgexit.c... -tresid.c: In function 'tresid': xerbla.c:46:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 46 | fprintf(stdout, " ** On entry to %s parameter number %d had an illegal value or pointer \n", | ~^ @@ -14614,32 +14594,8 @@ | ~~~~~ | | | Integer {aka long int} -tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] - 118 | DoublePrecision t, derror, normA, ulp, dumb; - | ^~~~ -mapchk.c: In function 'mapchk_': -mapchk.c:59:3: warning: this 'for' clause does not guard... [-Wmisleading-indentation] - 59 | for (indx = 0; indx < *n; indx++ ) - | ^~~ -tred22.c: In function 'tred2': -tred22.c:328:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 328 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld -tred22.c:354:43: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 354 | sprintf(msg, "TRED22:Error in argument %d \n", linfo); - | ~^ ~~~~~ - | | | - | int Integer {aka long int} - | %ld -mapchk.c:64:6: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the 'for' - 64 | iptr++; - | ^~~~ Compiling reducemap.c... Compiling pstebz10.c... -Compiling pstebz11.c... pgexit.c: In function 'pgexit': pgexit.c:85:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 85 | fprintf( stderr, " %s me = %d exiting via pgexit. \n", msg, mxmynd_() ); @@ -14647,7 +14603,7 @@ | | | | int Integer {aka long int} | %ld -Compiling inv_it4.c... +Compiling pstebz11.c... pdiff.c: In function 'pdiff': pdiff.c:104:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 104 | fprintf( stderr, " Error in pdiff. me = %d not in proclist. \n", me ); @@ -14675,6 +14631,8 @@ | ~~~~~~~~~ | | | Integer {aka long int} +Compiling inv_it4.c... +Compiling inv_it5.c... pstebz10.c: In function 'pstebz10_': pstebz10.c:244:20: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 244 | DoublePrecision eps, tmp; @@ -14691,14 +14649,7 @@ pstebz10.c:225:5: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 225 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ -Compiling inv_it5.c... -inv_it4.c: In function 'inv_it4': -inv_it4.c:78:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] - 78 | DoublePrecision xj, sep; - | ^~~ -inv_it4.c:76:43: warning: variable 'indrv5' set but not used [-Wunused-but-set-variable] - 76 | Integer indrv1, indrv2, indrv3, indrv4, indrv5; - | ^~~~~~ +Compiling inv_it3.c... pstebz11.c: In function 'pstebz11_': pstebz11.c:246:37: warning: unused variable 'shift' [-Wunused-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; @@ -14721,27 +14672,21 @@ pstebz11.c:221:19: warning: unused variable 'cptr' [-Wunused-variable] 221 | char msg[35], *cptr; | ^~~~ -Compiling inv_it3.c... +inv_it4.c: In function 'inv_it4': +Compiling peigs_tldlfact.c... +inv_it4.c:78:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] + 78 | DoublePrecision xj, sep; + | ^~~ +inv_it4.c:76:43: warning: variable 'indrv5' set but not used [-Wunused-but-set-variable] + 76 | Integer indrv1, indrv2, indrv3, indrv4, indrv5; + | ^~~~~~ inv_it5.c: In function 'inv_it5': inv_it5.c:72:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 72 | DoublePrecision xj, sep; | ^~~ -Compiling peigs_tldlfact.c... Compiling clustrf5.c... Compiling r_ritz.c... Compiling gdot.F... -pstebz10.c:512:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] - 512 | numeig = nhigh - nlow + 1; - | ~~~~~~^~~~~~ -pstebz10.c:223:5: note: 'nhigh' was declared here - 223 | nhigh, numeig, isize, linfo, - | ^~~~~ -pstebz10.c:512:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] - 512 | numeig = nhigh - nlow + 1; - | ~~~~~~^~~~~~ -pstebz10.c:224:13: note: 'nlow' was declared here - 224 | iii, m, nlow, me, nn_procs, - | ^~~~ pstebz11.c:496:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ @@ -14751,13 +14696,25 @@ pstebz11.c:496:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] 496 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ -pstebz11.c:227:14: note: 'nlow' was declared here - 227 | iii, m, nlow, me, ncol, k, nn_procs, - | ^~~~ clustrf5.c: In function 'clustrf5_': clustrf5.c:188:19: warning: variable 'ortol' set but not used [-Wunused-but-set-variable] 188 | DoublePrecision ortol, xj, sepfine; | ^~~~~ +pstebz11.c:227:14: note: 'nlow' was declared here + 227 | iii, m, nlow, me, ncol, k, nn_procs, + | ^~~~ +pstebz10.c:512:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] + 512 | numeig = nhigh - nlow + 1; + | ~~~~~~^~~~~~ +pstebz10.c:223:5: note: 'nhigh' was declared here + 223 | nhigh, numeig, isize, linfo, + | ^~~~~ +pstebz10.c:512:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] + 512 | numeig = nhigh - nlow + 1; + | ~~~~~~^~~~~~ +pstebz10.c:224:13: note: 'nlow' was declared here + 224 | iii, m, nlow, me, nn_procs, + | ^~~~ r_ritz.c: In function 'r_ritz_': r_ritz.c:32:27: warning: variable 'dscrat' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; @@ -14800,16 +14757,6 @@ | ^ note: '__result_neblw2' was declared here Compiling xstop.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 dstebz3.F:501:18: 501 | IF( GU.LT.WL ) THEN @@ -14850,6 +14797,16 @@ 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wul' was declared here +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 make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/src/f77' (cd ./comm; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/comm' @@ -14886,6 +14843,14 @@ Compiling mxm25_f.c... Compiling mxm5x_f.c... Compiling mxm88_f.c... +Compiling onenorm_f.c... +Compiling ortho_f.c... +Compiling pdspev_f.c... +Compiling pdspevx_f.c... +Compiling pdspgv_f.c... +Compiling pdspgvx_f.c... +Compiling resid_f.c... +Compiling residual_f.c... bortho_f.c: In function 'bortho_': bortho_f.c:120:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", @@ -14917,11 +14882,6 @@ | ~~ | | | Integer {aka long int} -Compiling onenorm_f.c... -Compiling ortho_f.c... -Compiling pdspev_f.c... -Compiling pdspevx_f.c... -Compiling pdspgv_f.c... ortho_f.c: In function 'ortho_': ortho_f.c:115:46: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", @@ -14953,9 +14913,6 @@ | ~~ | | | Integer {aka long int} -Compiling pdspgvx_f.c... -Compiling resid_f.c... -Compiling residual_f.c... pdspev_f.c: In function 'pdspev_': pdspev_f.c:147:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", @@ -15010,63 +14967,63 @@ | | | | int Integer {aka long int} | %ld -Compiling sonenorm_f.c... -Compiling tresid_f.c... -pdspgvx_f.c: In function 'pdspgvx_': -pdspgvx_f.c:179:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", +pdspgv_f.c: In function 'pdspgv_': +pdspgv_f.c:159:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld - 180 | msg, me, -linfo ); + 160 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} -pdspgvx_f.c:179:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", +pdspgv_f.c:159:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld - 180 | msg, me, -linfo ); + 160 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} -pdspgvx_f.c:192:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 192 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld -Compiling choleski_f.c... -pdspgv_f.c: In function 'pdspgv_': -pdspgv_f.c:159:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", +pdspgv_f.c:172:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 172 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +pdspgvx_f.c: In function 'pdspgvx_': +pdspgvx_f.c:179:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld - 160 | msg, me, -linfo ); + 180 | msg, me, -linfo ); | ~~ | | | Integer {aka long int} -pdspgv_f.c:159:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", +pdspgvx_f.c:179:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", | ~^ | | | int | %ld - 160 | msg, me, -linfo ); + 180 | msg, me, -linfo ); | ~~~~~~ | | | Integer {aka long int} -pdspgv_f.c:172:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 172 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld +pdspgvx_f.c:192:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 192 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +Compiling sonenorm_f.c... +Compiling tresid_f.c... +Compiling choleski_f.c... Compiling inverse_f.c... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/peigs/ctof' rm -f libpeigs.a @@ -15079,17 +15036,17 @@ Making libraries in perfm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' Compiling perfm_start.F... +Compiling perfm_end.F... +Compiling perfm_flop.F... +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling perfm_end.F... -Compiling perfm_flop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/perfm' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -15107,12 +15064,15 @@ Making libraries in bq make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/bq' Compiling bq_input.F... +Compiling bq_rtdb.F... +Compiling bq_data.F... +Compiling bq_main.F... +Compiling bq_force.F... +Compiling bq_checksum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling bq_data.F... -Compiling bq_rtdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -15121,9 +15081,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling bq_main.F... -Compiling bq_force.F... -Compiling bq_checksum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -15164,8 +15121,11 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cons' Compiling cons_input.F... Compiling cons.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling cons_utils.F... +Compiling cons_springs.F... +Compiling cons_rtdb.F... +Compiling cons_data.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -15177,13 +15137,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cons_springs.F... -Compiling cons_rtdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cons_data.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -15192,14 +15149,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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)). cons_rtdb.F:1041:21: 1014 | if(.not.rtdb_get(rtdb,tag_n,mt_int,1,nc)) then @@ -15216,6 +15165,14 @@ 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)). +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)). cons_springs.F:184:52: 60 | status=rtdb_get(rtdb,tag_n,mt_int,1,nhb) @@ -15236,11 +15193,11 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints' Compiling intgrl_input.F... Making all in simint +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint' Making all in module make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/module' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/simint/module' @@ -15286,47 +15243,52 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' Compiling cando_sp.F... Compiling exact_mem.F... +Compiling exactd_mem.F... +Compiling int_1cg.F... +Compiling int_1e3ov.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -cando_sp.F:294:0: - - 294 | #define USE_TEXAS -Warning: "USE_TEXAS" redefined -:11:0: - -note: this is the location of the previous definition -Compiling exactd_mem.F... +Compiling int_1estv.F... +Compiling int_2e2c.F... +Compiling int_2e3c.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_1cg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_1e3ov.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_1estv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling int_acc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_2e2c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_2e3c.F... +cando_sp.F:294:0: + + 294 | #define USE_TEXAS +Warning: "USE_TEXAS" redefined +:11:0: + +note: this is the location of the previous definition +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] int_2e2c.F:58:0: 58 | #define USE_TEXAS @@ -15338,18 +15300,17 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_acc.F... +Compiling int_canon.F... +Compiling int_chk_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling int_chk_sh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_canon.F... -Compiling int_chk_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_chk_sh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -15361,20 +15322,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_init.F... Compiling int_l1e3ov.F... -Compiling int_l1eall.F... -Compiling int_l1eh1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling int_l1eall.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling int_l1eh1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -15385,36 +15342,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_l1eke.F... Compiling int_l1eov.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_l1epe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling int_l1epe.F... +Compiling int_l2e2c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_l2e2c.F... Compiling int_l2e3c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -15424,6 +15365,22 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). +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 int_lgen1e.F... Compiling int_mem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -15435,11 +15392,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_mpolel.F... +Compiling int_mpole.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_mpole.F... Compiling int_nint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -15454,13 +15411,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_projpole.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling int_term.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intd_1eh1.F... int_mpole.F:315:72: 315 | if (Li.eq.-1) i_gen = i_gen_save @@ -15481,10 +15431,17 @@ 103 | integer i_gen_save, j_gen_save | ^ note: 'j_gen_save' was declared here +Compiling int_projpole.F... +Compiling int_term.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling intd_1eh1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -15501,6 +15458,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling intd_2e2c.F... int_projpole.F:168:72: 168 | if (Li.eq.-1) i_gen = i_gen_save @@ -15511,10 +15472,6 @@ 88 | integer i_gen_save | ^ note: 'i_gen_save' was declared here -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intd_2e2c.F... Compiling intd_2e3c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -15535,21 +15492,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intd_1e3ov.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intbd_init4c.F... -Compiling intbd_2e4c.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intbdd_init4c.F... intd_2e4c.F:258:33: 258 | call ycopy((nint_ck*3*4),0.0d00,0,eri,1) @@ -15558,6 +15502,11 @@ 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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling intbd_2e4c.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] intd_2e4c.F:286:21: 286 | call ycopy(3,0.0d00,0,roff,1) @@ -15574,27 +15523,18 @@ 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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling intbdd_init4c.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_2e4c.F... intd_init.F:368:50: 198 | if (rtdb_get(rtdb,'intd:cando_txs',MT_LOG,1,status)) @@ -15603,22 +15543,42 @@ 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_mpolel.F... +Compiling intbdd_2e4c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling intd_mpolel.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling intdd_1eh1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intdd_1eh1.F... Compiling intdd_1eov.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intdd_2e2c.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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] intbdd_2e4c.F:236:25: 236 | call ycopy (numint,eri,1,scr,1) @@ -15627,7 +15587,9 @@ 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 intdd_2e2c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling intdd_2e4c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -15635,27 +15597,27 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intdd_2e4c.F... +Compiling intdd_2e3c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intdd_2e3c.F... +Compiling intdd_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intdd_init.F... +Compiling intp_1eke.F... +Compiling intp_1eov.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intp_1eke.F... +Compiling intp_1epe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intp_1eov.F... intdd_init.F:228:51: 96 | if (rtdb_get(rtdb,'intdd:cando_txs',MT_LOG,1,status)) @@ -15664,41 +15626,46 @@ 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_1epe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling intp_2e2c.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling intp_2e3c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intp_2e3c.F... Compiling intp_mpole.F... +Compiling intp_1e1cpe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling intp_2e3ct.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling intp_1e1cpe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling intp_mpolel.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intp_2e3ct.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intp_mpolel.F... +Compiling intp_txyz.F... +Compiling intpd_1e1cpe.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] intp_mpole.F:203:72: 203 | if (Li.eq.-1) i_gen = i_gen_save @@ -15719,36 +15686,17 @@ 83 | integer i_gen_save, j_gen_save | ^ note: 'j_gen_save' was declared here -Compiling intp_txyz.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intpd_1e1cpe.F... Compiling intpd_1eke.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intpd_1eov.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intpd_1epe.F... -Compiling intpd_2e2c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling intpd_1epe.F... intp_mpolel.F:202:10: 202 | if ((num_int+l_int*ij_int_x).gt.lmpint) then @@ -15759,16 +15707,25 @@ 121 | integer l_int, ij_int, ij_int_x, num_int | ^ note: 'num_int' declared here +Compiling intpd_2e2c.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling intpd_2e3c.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intpd_2e3ct.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling intpd_2e3ct.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -15779,57 +15736,59 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intd_1eso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_1epvpe.F... +Compiling intd_1eso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling int_1epvpe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling int_1epxvpe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_1epxvpe.F... Compiling int_vstat1e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intdd_1eecp1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling intdd_1eecp1.F... +Compiling int_1eelec.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_1eelec.F... -Compiling int_giaoh01.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_giaoh11.F... +Compiling int_giaoh01.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling int_giaoh11.F... Compiling int_giaol10.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_giaos10.F... +Compiling int_giaotv10.F... +Compiling int_giaobq10.F... +Compiling int_giao_2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_giaotv10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -15838,8 +15797,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_giaobq10.F... -Compiling int_giao_2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -15849,12 +15806,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_pso.F... -Compiling int_dso.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling int_dso.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -15865,20 +15822,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling intd_1epot_cosmo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intd_1epot_cosmo.F... Compiling int_veloc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_angmom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling int_angmom.F... Compiling int_giaos100.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -15889,32 +15846,28 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cosmo_screen.F... -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' Compiling int_hf1sp.F... Compiling int_l2e4c.F... +Compiling intb_init4c.F... +Compiling intb_2e4c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling int_2e4c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -int_hf1sp.F:597:56: - - 597 | c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ -Warning: backslash and newline separated by space f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling intb_init4c.F... -Compiling intb_2e4c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_2e4c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -15923,6 +15876,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +int_hf1sp.F:597:56: + + 597 | c:tex-10 & (x$|$z) & (y$|$x) & 10 $\rightarrow$ 8 \\ +Warning: backslash and newline separated by space make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/api' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock @@ -15935,24 +15892,18 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/int' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/int' Compiling hf3PEabc.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hf3mkr.f... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hf3pot.F... Compiling defNxyz.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling getNxyz.F... +Compiling matchNxyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling matchNxyz.F... Compiling hf1.F... +Compiling hf1mke3.f... +Compiling hf1mkr.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -15961,37 +15912,36 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hf1mke3.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hf1mkr.f... Compiling hf1set3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hf2.F... -Compiling hf2mkr.F... -Compiling hf2oi.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hf2mkr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hf3OIs.f... -Compiling hfabc.f... -Compiling hfctr3.f... -Compiling hferi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hferi_gen.F... +Compiling hf2oi.f... +Compiling hf3OIs.f... +Compiling hfabc.f... hf1.F:190:72: 190 | i_ptr = i_Ep + 3*NPP*(MXD+1)*lprod @@ -16002,28 +15952,35 @@ 31 | integer MXD,NCP,NPP,La2,Lb2,Li,Lp,Lp3,MaxMem,nintlocal,lprod,nd | ^ note: 'npp' declared here +Compiling hfctr3.f... +Compiling hferi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hferi_gen.F... Compiling hfkei.f... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hfmke.F... -Compiling hfmkr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hfmkr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hfnai.f... Compiling hfset.F... -Compiling igamma.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling igamma.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -16032,6 +15989,7 @@ Compiling hfreord_pq.f... Compiling hf1_tran.F... Compiling hf1_er.F... +Compiling hfnai_er.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -16040,7 +15998,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hfnai_er.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -16062,26 +16019,26 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/auxil' Compiling do_chk_sum.F... Compiling intb_chk_sum.F... +Compiling xlmcoeff.F... +Compiling xlm_norm.F... +Compiling int_spcart2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xlmcoeff.F... +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/auxil' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xlm_norm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_spcart2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/auxil' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -16095,27 +16052,27 @@ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling int_norm.F... +Compiling nmcoef.F... +Compiling int_norm_2c.F... +Compiling int_chk_sum.F... +Compiling int_spcart.F... +Compiling nmcoef2c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nmcoef.F... -Compiling int_norm_2c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_chk_sum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_spcart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nmcoef2c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -16255,32 +16212,32 @@ Making all in ints_sp make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' Compiling sp1111.F... +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' Compiling genr70.F... Compiling init70.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qout70.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qout70.F... Compiling sinfo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling sp0000.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sp0000.F... Compiling sp0001.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -16292,20 +16249,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sp0101.F... +Compiling sp0111.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sp0111.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tabgen.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tabgen.f... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ints_sp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock @@ -16324,11 +16281,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hfd2oi.f... -Compiling hfderi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hfderi.F... Compiling hfdkei.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -16336,31 +16293,31 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hfdnai.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling hfefi.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hfefi.f... Compiling hf2d_2a.F... Compiling hf2d_2b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hf2d_2a2b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hf2d_2a2b.F... Compiling hf2d_3a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hf2d_3a2b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hf2d_3a2b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -16375,10 +16332,10 @@ Compiling hf2QStoCD.f... Compiling hfd3oi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling hf1d_cosmo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hf1d_cosmo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -16410,67 +16367,57 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling texas_face.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling texas_hf.F... Compiling big_service.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling getmem.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling amshift.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling amshift.F... Compiling assemblx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling spec_block.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cshneg.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling d_datlog.F... -Compiling spec_calcint.F... +Compiling spec_block.F... +Compiling cshneg.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 d_datlog.F... +Compiling spec_calcint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling spec_destiny.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] 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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) @@ -16596,6 +16543,7 @@ 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) +Compiling memoha.F... texas_hf.F:504:72: 504 | * bl(ijpres2),bl(klpres2),bl(isblsize),bl(isbl_part)) @@ -16666,7 +16614,6 @@ 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) -Compiling memoha.F... texas_hf.F:936:72: 936 | call tfer_i(bltxs(npard_R), blscr(npard), npard_S ) @@ -16718,58 +16665,19 @@ | 1 Warning: Type mismatch in argument 'ib' at (1); passed REAL(8) to INTEGER(8) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +big_service.F:805:72: + + 805 | s=zero + | ^ +Warning: 'zero' is used uninitialized [-Wuninitialized] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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: +big_service.F:805:12: - 341 | * bl(indxx),lni,lnj,lnk,lnl) - | 1 -Warning: Type mismatch in argument 'indxx' at (1); passed REAL(8) to INTEGER(8) + 805 | s=zero + | ^ +note: 'zero' was declared here assemblx.F:1438:72: 1438 | * bl(indx), ijenx,klenx) @@ -17040,6 +16948,7 @@ 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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] assemblx.F:55:72: 55 | * bl(ibuf2),bl(indx)) @@ -17075,6 +16984,92 @@ 96 | * bl(iaax),bl(ibbx),bl(iccx)) | 1 Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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) +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) +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) +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) spec_block.F:84:72: 84 | * bl(nblock1),nbl1,nbl2,nbl4) @@ -17460,7 +17455,6 @@ 1819 | * bl(map_n0), nbls_n0) | 1 Warning: Type mismatch in argument 'map_n0' at (1); passed REAL(8) to INTEGER(8) -Compiling precalc2.F... spec_calcint.F:1237:72: 1237 | * isbl_size,isbl_point) @@ -17516,49 +17510,12 @@ 41 | * lab1,lab2,lab3,lab4,fockmat,ncfunct) | 1 Warning: Type mismatch in argument 'mxsize' at (1); passed REAL(8) to INTEGER(8) -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) +Compiling precalc2.F... +Compiling prepint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 prepint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -17644,11 +17601,11 @@ | 1 Warning: Type mismatch in argument 'kl_uniqe' at (1); passed REAL(8) to INTEGER(8) Compiling lab_reorder.F... -Compiling rt123.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rt123.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -17661,7 +17618,6 @@ Compiling time.f... Compiling zeroint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling missing.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -17765,44 +17721,7 @@ 269 | * bl(ibut2 ),lsss,lsss,1 ,1) | 1 Warning: Type mismatch in argument 'idxnot' at (1); passed REAL(8) to INTEGER(8) -Compiling texas_stubs.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -texas_stubs.F:7:0: - - 7 | #define USE_TEXAS -Warning: "USE_TEXAS" redefined -:11:0: - -note: this is the location of the previous definition -Compiling uniq_pairs.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 missing.f... precalc2.F:1623:72: 1623 | fctpp= abs( est_ip*est_jp ) @@ -17843,34 +17762,43 @@ 1606 | factab=abs( est_is*est_js ) | ^ note: 'factab' was declared here +Compiling texas_stubs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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: +texas_stubs.F:7:0: - 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: + 7 | #define USE_TEXAS +Warning: "USE_TEXAS" redefined +:11:0: - 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... +note: this is the location of the previous definition +Compiling uniq_pairs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling convert.f... -Compiling test_calc2.f... -Compiling screened_op.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) spec_destiny.F:341:72: 341 | icfx(integ_n0)=iix(1) @@ -17911,45 +17839,34 @@ 259 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][3]' was declared here +Compiling transfor.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling trobsa.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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: +Compiling gencon.f... +gencon.f:352:72: - 364 | * bl(irhocpd_u),bl(icdnix_u),bl(ixqnx_u),bl(ixwq_u)) + 352 | * bl(indx),nbls1, ngcd,bl(igcoet) ) | 1 -Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) -trobsa.F:372:72: +Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) +gencon.f:366:72: - 372 | * bl(ip1234),bl(iabcd),bl(ihabcdx) ) + 366 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 -Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) -trobsa.F:382:72: +Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) +gencon.f:370:72: - 382 | * bl(iwt0),bl(iwt0_u),lnij,lnkl) + 370 | * bl(igc_ax),bl(igc_bx),bl(igc_cx) ) | 1 -Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) +Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) +Compiling derivat.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling convert.f... +Compiling test_calc2.f... precalc2.F:579:72: 579 | fctpp= abs( est_ip*est_jp ) @@ -18020,6 +17937,46 @@ 1023 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][3]' was declared here +Compiling screened_op.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling trobsa.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)) @@ -18112,11 +18069,11 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ecp' Compiling ecp_sph_tens.f... Compiling int_ecp.F... +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ecp' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/ecp' int_ecp.F:216:10: 216 | if (n_zeta_c_e.ne.n_zeta_c_c) then @@ -18141,25 +18098,35 @@ 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ecp_bess_pow.f... -Compiling ecp_bessel.f... -Compiling ecp_c2snorm.F... -Compiling ecp_c2slower.f... -Compiling ecp_c2srecur.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ecp_c2srecur.f... Compiling ecp_cart_xpd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_contract.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 ecp_cart_xpd.F:117:32: 102 | call ycopy(m-a+1,zero,0,tmp(ind_n,ind_m+1),n_n) @@ -18169,28 +18136,18 @@ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling ecp_cstrans.F... -Compiling ecp_down_m.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -ecp_c2snorm.F:42:72: - - 42 | wa = wa/sqrt(wb*wc) - | ^ -Warning: 'wa' may be used uninitialized [-Wmaybe-uninitialized] +Compiling ecp_down_m.f... Compiling ecp_gaussq.f... -ecp_c2snorm.F:20:25: - - 20 | double precision wa,wb,wc,zero,half - | ^ -note: 'wa' was declared here Compiling ecp_init_c2s.F... -Compiling ecp_init_con.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ecp_init_con.F... Compiling ecp_int0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -18202,7 +18159,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_int2.F... -Compiling ecp_integral.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -18211,45 +18167,45 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ecp_matpi.F... +Compiling ecp_integral.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ecp_matpi.F... Compiling ecp_matpr.F... +Compiling ecp_radint0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ecp_radint0.F... -Compiling ecp_radint1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ecp_radint2.F... +Compiling ecp_radint1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ecp_radint2.F... Compiling ecp_s2ccoef.f... -Compiling ecp_s2cnorm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ecp_s2cnorm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_so_ang.F... -Compiling ecp_t1_Q0asy.F... -Compiling ecp_t1_Q0int.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ecp_t1_Q0asy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -18257,6 +18213,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ecp_t1_Q0int.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -18267,26 +18224,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_t1_Q1asy.F... -Compiling ecp_t1_Q1int.F... -Compiling ecp_t1_Q1pow.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ecp_t1_Q1int.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ecp_t1_Q1pow.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_t1_Q2int.F... +Compiling ecp_t2_ghq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ecp_t2_ghq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -18310,21 +18267,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_up_k.f... Compiling ecp_local0.F... +Compiling ecp_local1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ecp_local1.F... Compiling ecp_local2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ecp_locint1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ecp_locint1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -18335,21 +18292,32 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_t1_Q3asy.F... -Compiling ecp_t1_Q3int.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ecp_t1_Q3int.F... Compiling ecp_t1_Q3pow.F... +Compiling ecp_t1_Q4int.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ecp_t2_init3.f... +Compiling ecp_t2_init4.f... +Compiling ecp_t2_p3pow.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ecp_t1_Q4int.F... ecp_locint1.F:169:72: 169 | wb = prefac*prefactor(j,i)*a_sqrt(j,i)**(p+1) @@ -18360,49 +18328,38 @@ 56 | & coeff_c(n_c),tol,wa,wb,wc,prefac | ^ note: 'prefac' was declared here -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ecp_t2_init3.f... -Compiling ecp_t2_init4.f... -Compiling ecp_t2_p3pow.F... Compiling ecp_t2_p4pow.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ecp_ind_var.f... Compiling ecp_gradient.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ecp_grad_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ecp_grad_a.F... -Compiling ecp_grad_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ecp_grad_b.F... Compiling ecp_hessian.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ecp_int2_k.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ecp_int2_k.F... +Compiling ecp_local2_k.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ecp_local2_k.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -18425,25 +18382,17 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_whermt.F... Compiling hnd_rt123.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_root4.F... +Compiling hnd_root5.F... +Compiling hnd_droot.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_root5.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_droot.F... Compiling hnd_1emem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -18453,18 +18402,18 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_init.F... Compiling hnd_set_acc.F... -Compiling hnd_stvint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling hnd_stvint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -18483,7 +18432,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_d1emem.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hnd_sxyz.F:18:52: 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz @@ -18499,32 +18455,37 @@ 18 | double precision ptx, pty, ptz, ax, ay, az, bx, by, bz | ^ Warning: 'bz' may be used uninitialized [-Wmaybe-uninitialized] -Compiling hnd_stvintd.F... -Compiling hnd_dderij.F... +Compiling hnd_d1emem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_stvintd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_dderij.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_sd_ij.F... +Compiling hnd_tvd_ij.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_tvd_ij.F... Compiling hnd_ddtxyz.F... -Compiling hnd_hlf_ij.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_hlf_ij.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -18535,6 +18496,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_initdd.F... +Compiling hnd_dd1emem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -18543,12 +18505,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_dd1emem.F... +Compiling hnd_stvintdd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_stvintdd.F... Compiling hnd_hlfd_ij.F... Compiling hnd_deriaj.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -18559,31 +18520,31 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_terminate.F... +Compiling hnd_denxyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling hnd_elfder.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_denxyz.F... -Compiling hnd_terminate.F... +Compiling hnd_giaoh01.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_giaoh11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_elfder.F... -Compiling hnd_giaoh01.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_giaoh11.F... Compiling hnd_giaol10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -18594,17 +18555,18 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_giaotv10.F... +Compiling hnd_giaobq10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_giaotv10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_giaobq10.F... Compiling hnd_giao_init.F... +Compiling hnd_giao_1emem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -18613,21 +18575,17 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_giao_1emem.F... Compiling hnd_giao_2emem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_giagnm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_giaspd.F... hnd_giagnm.F:56:13: 54 | do 70 m=2,max @@ -18724,18 +18682,17 @@ 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_jkbcdf.F... -Compiling hnd_oechrg.F... -Compiling hnd_xyzgia.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_oechrg.F... +Compiling hnd_xyzgia.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -18750,93 +18707,93 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_giaxyz.F... -Compiling hnd_jkwrys.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_jkwrys.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_spdgia.F... -Compiling hnd_pso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_pso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_ops.F... Compiling hnd_dso.F... +Compiling hnd_wleg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_wleg.F... +Compiling hnd_herxyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_herxyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_init_1eelec.F... -Compiling hnd_init_dso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_init_dso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_init_1emtpl.F... +Compiling hnd_init_pso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_init_pso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_init_ops.F... +Compiling hnd_veloc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_veloc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_angmom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling hnd_dipxyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_dipxyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_init_dip.F... +Compiling hnd_giaos100.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_giaos100.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/hondo' @@ -18851,11 +18808,13 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/rel' Compiling int_rel_init.F... Compiling rel_input.F... +Compiling modelpotential_input.F... +Compiling set_modelpotential_params.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling modelpotential_input.F... +Compiling get_modelpotential_params.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -18864,17 +18823,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling set_modelpotential_params.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling get_modelpotential_params.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_modelpotential.F... +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/rel' +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rel_input.F:80:64: 48 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) @@ -18883,70 +18845,65 @@ 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)). -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/rel' -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rel_onel.F... Compiling rel_mpole.F... +Compiling rel_pvp.F... +Compiling rel_pot.F... +Compiling rel_pot2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_2e4c_sf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling rel_pvp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rel_pot.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rel_pot2.F... +Compiling rel_LLSS.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rel_2e4c_sf.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 f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rel_LLSS.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rel_SSLL.F... +Compiling rel_SSSS.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rel_SSSS.F... +Compiling rel_init_con.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rel_init_con.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dmd_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dmd_input.F... Compiling zora_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -18963,7 +18920,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rel_oneld.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling rel_oneld_cosmo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -18975,10 +18931,12 @@ 14 | c:tex- \nonumber \\ Warning: backslash and newline separated by space +Compiling rel_oneld_cosmo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rel_2e4cd_sf.F... rel_oneld_cosmo.F:9:19: 9 | c:tex- \nonumber \\ @@ -18987,12 +18945,11 @@ 14 | c:tex- \nonumber \\ Warning: backslash and newline separated by space -Compiling rel_2e4cd_sf.F... -Compiling rel_LLSSd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rel_LLSSd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -19025,34 +18982,26 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/dk' Compiling int_1edk_ga.F... Compiling dk_input.F... +Compiling dkdiv_energy.F... +Compiling int_pxvp_ga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dkdiv_energy.F... -Compiling int_pxvp_ga.F... +Compiling int_1edkso_ga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling bas_create_uncont.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling int_1edkso_ga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling bas_create_uncont.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -19061,16 +19010,24 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -int_1edk_ga.F:194:13: +dk_input.F:110:61: - 194 | info = ga_cholesky('L',tempg_a,-1) - | 1 -Warning: More actual than formal arguments in procedure call at (1) + 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)). 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) +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) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/dk' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/NWints/dk' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwints.lock @@ -19090,22 +19047,26 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/atomscf' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/atomscf' Compiling orderd.F... +Compiling atcond.F... +Compiling denat.F... +Compiling hamild.F... +Compiling outpud.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling teigd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling atcond.F... -Compiling denat.F... +Compiling atomd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling denmad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling jacod.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hamild.F... -Compiling outpud.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -19114,42 +19075,29 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling teigd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling atomd.F... -Compiling denmad.F... -Compiling jacod.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pdfded.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pdfded.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tracd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tracd.F... Compiling cmergd.F... -Compiling densid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -19158,32 +19106,36 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling densid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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 densid_z.F... -Compiling oeigd.F... -Compiling shalfd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling trafsd.F... +Compiling oeigd.F... +Compiling shalfd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling trafsd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling creded.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling square.F... jacod.F:141:72: 141 | f(iebr) = tt*sx - f(iebr)*cx @@ -19198,45 +19150,50 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tramad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling square.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tramad.F... Compiling datoms.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling guess_mem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling guess_mem.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling starcd.F... -Compiling writel.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling writel.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling printbasis.F... -Compiling atscf_ecp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling atscf_atscf.F... +Compiling atscf_ecp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling atscf_atscf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -19255,26 +19212,29 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling comp4_insert.F... +Compiling scf_lindep.F... +Compiling ga_atom_blk.F... +Compiling scf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling scf_sym_adap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rhf_fock_2e.F... +Compiling scf_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling scf_lindep.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -19283,36 +19243,33 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ga_atom_blk.F... -Compiling scf.F... -Compiling scf_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling schwarz_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling schwarz_init.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling vectors_inp.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling vectors_inp.F... Compiling int_1e_ga.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] scf_input.F:52:60: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) @@ -19330,6 +19287,31 @@ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling schwarz_pr.F... +Compiling ga_orth_mos.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)). +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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -19346,7 +19328,6 @@ 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)). -Compiling ga_orth_mos.F... scf.F:307:56: 76 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 1)) @@ -19355,43 +19336,19 @@ 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 schwarz_tidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling schwarz_tidy.F... Compiling int2e_balance.F... +Compiling vectors.F... +Compiling scf_sym_scr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling vectors.F... -Compiling scf_sym_scr.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -19400,58 +19357,56 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mull_pop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mull_pop.F... Compiling matrix_exp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling scf_pstat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling schwarz_max.F... +Compiling scf_pstat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling schwarz_max.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling movecs_proj.F... -Compiling movecs_rotate.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling movecs_rotate.F... +int_1e_ga.F:706:72: + + 706 | ocache=ocache_save + | ^ +Warning: 'ocache_save' may be used uninitialized [-Wmaybe-uninitialized] +int_1e_ga.F:625:25: + + 625 | logical ocache_save + | ^ +note: 'ocache_save' was declared here Compiling movecs_molden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ao_fock_2e.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 ao_fock_2e.F... mull_pop.F:162:44: 152 | call ga_put(g_nbf,iat,iat,1,1,nbf_at,1) @@ -19468,22 +19423,43 @@ 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 movecs_lock.F... -Compiling fock_2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +int_1e_ga.F:423:72: + + 423 | ocache=ocache_save + | ^ +Warning: 'ocache_save' may be used uninitialized [-Wmaybe-uninitialized] +int_1e_ga.F:208:25: + + 208 | logical ocache_save + | ^ +note: 'ocache_save' was declared here +Compiling movecs_lock.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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling fock_2e.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling fock_2e_et.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling fock_2e_a.F... movecs_lock.F:77:26: 62 | call ycopy(nmo, evals, 1, dbl_mb(k_e), 1) @@ -19492,20 +19468,13 @@ 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) -int_1e_ga.F:706:72: - - 706 | ocache=ocache_save - | ^ -Warning: 'ocache_save' may be used uninitialized [-Wmaybe-uninitialized] -int_1e_ga.F:625:25: - - 625 | logical ocache_save - | ^ -note: 'ocache_save' was declared here +Compiling fock_2e_a.F... +Compiling print_aoints.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling fock_2e_b.F... fock_2e.F:111:49: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), @@ -19554,118 +19523,45 @@ 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 print_aoints.F... -int_1e_ga.F:423:72: - - 423 | ocache=ocache_save - | ^ -Warning: 'ocache_save' may be used uninitialized [-Wmaybe-uninitialized] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -int_1e_ga.F:208:25: - - 208 | logical ocache_save - | ^ -note: 'ocache_save' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling fock_2e_b.F... -Compiling fock_upd_blk.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling fock_upd_blk.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fock_2e_cdf.F... Compiling fock_get_blk.F... -Compiling scf_vec_guess.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling scf_vec_guess.F... +Compiling rohf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rohf.F... Compiling rohf_nr_sol.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rohf_wrap.F... -Compiling rohf_canon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 rohf_wrap.F... scf_vec_guess.F:113:53: 92 | if(.not.rtdb_get(rtdb,'tolguess',mt_dbl,1,tolguess)) then @@ -19698,6 +19594,7 @@ 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) +Compiling rohf_canon.F... scf_vec_guess.F:164:14: 159 | if (.not. rtdb_put(rtdb,'scf:tol2e',mt_dbl,1,tol2e)) @@ -19762,21 +19659,25 @@ 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_k2cf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rohf_precon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rohf_shift.F... +Compiling rohf_k2cf.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rohf_precon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rohf_shift.F... rohf.F:135:14: 135 | $ int_mb(k_irs), nmo) @@ -19786,14 +19687,66 @@ | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling rohf_step.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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). rohf_canon.F:90:17: 79 | $ zero, g_movecs) @@ -19842,27 +19795,21 @@ 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_rotate.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling scf_get_info.F... -Compiling rohf_hscale.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling fock_2e_file.F... +Compiling rohf_rotate.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling scf_get_info.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling rohf_hscale.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rohf_hxx.F... rohf_wrap.F:209:58: 191 | if (.not. rtdb_get(rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) @@ -19871,11 +19818,17 @@ 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_fock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling fock_2e_file.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rohf_hxx.F... +Compiling rohf_fock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -19885,12 +19838,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scf_movecs.F... Compiling rohf_h1e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rohf_fock.F:255:25: 121 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) @@ -19923,17 +19884,12 @@ 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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rohf_h2e.F... Compiling rohf_hessv2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rohf_dens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -19946,6 +19902,15 @@ 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_dens.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -19956,14 +19921,15 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling riscf_fock.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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling riscf_init.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rohf_hessv2.F:293:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, @@ -20076,12 +20042,8 @@ 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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling riscf_init.F... Compiling riscf_list.F... +Compiling riscf_tidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -20090,36 +20052,27 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling riscf_tidy.F... Compiling riscf_trans.F... -Compiling do_riscf.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling do_riscf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling riscf_dovecs.F... -Compiling rohf_scat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rohf_scat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -riscf_list.F:101:40: - - 101 | logical function riscf_del_3c_ints (handle) - | ^ -Warning: '__result_riscf_del_3c_ints' may be used uninitialized [-Wmaybe-uninitialized] +Compiling uhf.F... riscf_trans.F:96:61: 64 | call ga_get (g_indx, i, i, j, j, indx, 1) @@ -20128,32 +20081,35 @@ 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 uhf.F... -Compiling uhf_hessv.F... +riscf_list.F:101:40: + + 101 | logical function riscf_del_3c_ints (handle) + | ^ +Warning: '__result_riscf_del_3c_ints' may be used uninitialized [-Wmaybe-uninitialized] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling uhf_hessv.F... Compiling fock_2e_rep.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling uhf_hessv2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling print_integ_list.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -vectors.F:997:72: - - 997 | end - | ^ -Warning: '__result_movecs_converged' may be used uninitialized [-Wmaybe-uninitialized] -vectors.F:873:39: - - 873 | logical function movecs_converged(rtdb, basis, scftype, filename) - | ^ -note: '__result_movecs_converged' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling uhf_hessv2.F... rohf_scat.F:124:35: 109 | if (.not.int_normalize(rtdb,basis)) @@ -20194,59 +20150,70 @@ 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 print_integ_list.F... +Compiling print_1eints.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling riscf_square.F... +Compiling riscf_io.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling print_1eints.F... +Compiling movecs_pr_anal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 rohf_lagr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling riscf_io.F... -Compiling movecs_pr_anal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rohf_lagr.F... Compiling rohf_diis.F... +vectors.F:997:72: + + 997 | end + | ^ +Warning: '__result_movecs_converged' may be used uninitialized [-Wmaybe-uninitialized] +vectors.F:873:39: + + 873 | logical function movecs_converged(rtdb, basis, scftype, filename) + | ^ +note: '__result_movecs_converged' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rhf_fock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 rhf_fock.F... +Compiling multipole.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling multipole.F... +Compiling ga_mat_to_vec.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling movecs_frag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -20272,27 +20239,12 @@ 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 ga_mat_to_vec.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling movecs_frag.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling localize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int_dip_ga.F... -Compiling fock_xc.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] movecs_frag.F:84:63: 56 | $ call errquit('movecs_fragment: no fragment info?',0, @@ -20301,25 +20253,35 @@ 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 fock_j_fit.F... +Compiling fock_xc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rohf_jkfac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling uhf_jkfac.F... +Compiling fock_j_fit.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rohf_jkfac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling uhf_jkfac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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) fock_xc.F:117:54: 103 | & calc_type)) then @@ -20338,7 +20300,6 @@ 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) -Compiling rohf_hessv3.F... fock_xc.F:359:33: 359 | call nga_copy_patch('N',g_xc,alo,ahi, @@ -20371,11 +20332,17 @@ 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_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_hessv3.F... +Compiling fock_2e_cam.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ga_get2eri.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] uhf.F:2010:31: 429 | call movecs_fix_phase(g_movecs) @@ -20392,10 +20359,6 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] uhf.F:813:23: 397 | call ga_print(g_movecs) @@ -20468,12 +20431,6 @@ 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 fock_2e_cam.F... -Compiling ga_get2eri.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -20484,11 +20441,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling print_integrals.F... -Compiling rohf_hessv2_ext.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rohf_hessv2_ext.F... fock_2e_cam.F:118:49: 101 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), @@ -20537,16 +20494,7 @@ 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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rohf_hessv3_ext.F... -Compiling uhf_hessv2_ext.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -20604,6 +20552,10 @@ 69 | $ pflg, g_movecs, oskel, noskew, | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] localize.F:78:24: 78 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) @@ -20682,15 +20634,19 @@ 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 uhf_hessv2_ext.F... Compiling uhf_precond_ext.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling scf_dump_evp_input.F... Compiling cosmo_fock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -20708,18 +20664,6 @@ 53 | integer dims(3),chunk(3), | ^ note: 'dims' declared here -Making all in fast -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf/fast' -scf_dump_evp_input.F:74:72: - - 74 | & action="write",status="replace") - | ^ -Warning: 'funit' may be used uninitialized [-Wmaybe-uninitialized] -scf_dump_evp_input.F:18:22: - - 18 | integer :: funit - | ^ -note: 'funit' declared here rohf_hessv3_ext.F:88:11: 88 | & g_movecs, @@ -20730,6 +20674,19 @@ 429 | & g_movecs, ! in : MO coefficients | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf' +scf_dump_evp_input.F:74:72: + + 74 | & action="write",status="replace") + | ^ +Warning: 'funit' may be used uninitialized [-Wmaybe-uninitialized] +scf_dump_evp_input.F:18:22: + + 18 | integer :: funit + | ^ +note: 'funit' declared here +Making all in fast +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf/fast' uhf_hessv2_ext.F:4115:72: 4115 | & GA_ERR) @@ -20760,67 +20717,72 @@ 2418 | & dims(3),chunk(3) | ^ note: 'dims' declared here -uhf_hessv2_ext.F:343:72: - - 343 | chunk(1) = dims(1) - | ^ -Warning: 'dims' is used uninitialized [-Wuninitialized] -uhf_hessv2_ext.F:303:21: - - 303 | & dims(3),chunk(3) - | ^ -note: 'dims' declared here +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf/fast' Compiling fock_2e_task.F... Compiling fock_2e_slab.F... +Compiling fock_2e_lab.F... +Compiling fock_labscal.F... +Compiling fock_2e_c.F... +Compiling fock_scale.F... +Compiling fock_densc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling fock_2e_lab.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling fock_labscal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling fock_2e_c.F... +Compiling schwarz_atom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling fock_scale.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling fock_densc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling schwarz_atom.F... +Compiling comp4_ext.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling schwarz_sh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling comp4_ext.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling schwarz_sh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling int2e_file.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +uhf_hessv2_ext.F:343:72: + + 343 | chunk(1) = dims(1) + | ^ +Warning: 'dims' is used uninitialized [-Wuninitialized] +uhf_hessv2_ext.F:303:21: + + 303 | & dims(3),chunk(3) + | ^ +note: 'dims' declared here Compiling ao_replicated.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -20846,11 +20808,6 @@ 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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf/fast' ao_replicated.F:988:72: 988 | do i = ilo, ihi @@ -20871,45 +20828,49 @@ 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ihi' declared here -make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf' Compiling xlm_poles.F... Compiling cheby.F... +Compiling fastj.F... +Compiling anlfit.F... +Compiling cart_trans.F... +Compiling gauleg.f... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling solver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling fastj.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling vsint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pot_shell.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling anlfit.F... -Compiling cart_trans.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gauleg.f... -Compiling solver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling fastj_direct.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling vsint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pot_shell.F... -Compiling fastj_direct.F... +Compiling fastj_range.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -20944,12 +20905,6 @@ 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) -Compiling fastj_range.f... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling newfmm.F... vsint.F:999:72: 999 | n4=n5 @@ -20960,11 +20915,14 @@ 999 | n4=n5 | ^ note: 'n5' was declared here +make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ddscf' +Compiling newfmm.F... Compiling potential.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling sint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -20985,6 +20943,10 @@ 1994 | $ 2d0*log(double_factorial(n))+ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] anlfit.F:615:72: 615 | D(1)=PTWO @@ -20995,11 +20957,16 @@ 598 | DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) | ^ note: 'ptwo' was declared here -Compiling sint.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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) newfmm.F:1152:26: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) @@ -21026,16 +20993,6 @@ 598 | DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) | ^ note: 'ptwo' was declared here -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) fastj.F:1639:72: 1639 | dbl_mb(k_v_r+j-1) = dbl_mb(k_v_r+j-1) - potgrid @@ -21176,21 +21133,24 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gradients' Compiling gradients.F... Compiling grad_force.F... +Compiling grad1.F... +Compiling scf_gradient.F... +Compiling grad_dens.F... +Compiling grad_inp.F... +Compiling ga_reorder.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grad1.F... -Compiling scf_gradient.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gradients' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grad_dens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -21199,8 +21159,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grad_inp.F... -Compiling ga_reorder.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -21217,7 +21175,6 @@ 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)). -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gradients' grad_force.F:252:63: 226 | if (.not. rtdb_get(rtdb,'slv:cosmo',mt_log,1,ocosmo)) then @@ -21249,26 +21206,30 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/moints' Compiling atwtest.F... Compiling direct_mp2.F... +Compiling mointdriver.F... +Compiling moints_1e.F... +Compiling moints_dbg.F... +Compiling moints_gsh1.F... +Compiling moints_mem.F... +Compiling moints_mp2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling moints_stats.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mointdriver.F... -Compiling moints_1e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling moints_dbg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling moints_gsh1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling moints_full.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -21277,8 +21238,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling moints_mem.F... -Compiling moints_mp2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -21287,41 +21246,22 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling moints_stats.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)). -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 moints_full.F... +Compiling sifs0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sifs0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling sifs1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling sifs1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/moints' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] moints_mp2.F:167:54: @@ -21364,6 +21304,23 @@ 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) +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/moints' +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)). +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)). sifs1.F:1371:13: 911 | & fcore, ibitv, ierr ) @@ -21372,26 +21329,6 @@ 1371 | & wdummy, idummy, ierr ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -sifs0.F:236:72: - - 236 | nbig = ( ( nbig + 2*chunk ) / chunk ) * chunk - | ^ -Warning: 'chunk' may be used uninitialized [-Wmaybe-uninitialized] -sifs0.F:138:25: - - 138 | integer nbig, chunk, nword, ibvfac, space - | ^ -note: 'chunk' was declared here -sifs0.F:236:72: - - 236 | nbig = ( ( nbig + 2*chunk ) / chunk ) * chunk - | ^ -Warning: 'nbig' may be used uninitialized [-Wmaybe-uninitialized] -sifs0.F:138:18: - - 138 | integer nbig, chunk, nword, ibvfac, space - | ^ -note: 'nbig' was declared here moints_full.F:886:42: 626 | call ga_get(g_coul, 1, nact2, ij, ij, g, 1) @@ -21421,6 +21358,26 @@ 374 | $ nsym, sym_lo, sym_hi) | 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(8) +sifs0.F:236:72: + + 236 | nbig = ( ( nbig + 2*chunk ) / chunk ) * chunk + | ^ +Warning: 'chunk' may be used uninitialized [-Wmaybe-uninitialized] +sifs0.F:138:25: + + 138 | integer nbig, chunk, nword, ibvfac, space + | ^ +note: 'chunk' was declared here +sifs0.F:236:72: + + 236 | nbig = ( ( nbig + 2*chunk ) / chunk ) * chunk + | ^ +Warning: 'nbig' may be used uninitialized [-Wmaybe-uninitialized] +sifs0.F:138:18: + + 138 | integer nbig, chunk, nword, ibvfac, space + | ^ +note: 'nbig' was declared here sifs1.F:2034:72: 2034 | do 250 i = (i1+skipd), i2 @@ -21434,11 +21391,13 @@ Compiling moints_cutil.c... Compiling moints_aodisk.F... Compiling moints_2x.F... +Compiling moints_6x.F... +Compiling moints_semi.F... +Compiling moints_aux2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling moints_6x.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -21447,12 +21406,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling moints_semi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling moints_aux2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -21588,11 +21545,11 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft' Compiling nwdft.F... Making all in include +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/include' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/include' nwdft.F:224:57: 171 | if (rtdb_get(rtdb,'dyall_mod_dir',mt_log,1,dyall_mod_dir)) then @@ -21607,46 +21564,38 @@ Making all in input_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/input_dft' Compiling dft_inpana.F... -Compiling dft_input.F... Compiling dft_rdinput.F... +Compiling tol_inp.F... +Compiling dft_input.F... +Compiling grid_inp.F... +Compiling xc_inp.F... +Compiling conv_inp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tol_inp.F... +Compiling cdft_inp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grid_inp.F... +Compiling occup_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_inp.F... -Compiling conv_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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cdft_inp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling occup_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -21659,14 +21608,30 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -grid_inp.F:144:60: +tol_inp.F:70:57: - 81 | if (.not. rtdb_put(rtdb, 'dft:delley', mt_log, 1, ldelley)) - | 2 + 56 | if (.not. rtdb_put(rtdb, 'dft:ltight', mt_log, 1, ltight)) + | 2 ...... - 144 | if (.not. rtdb_put(rtdb, 'dft:nradpts', mt_int, 1, nradpts)) - | 1 + 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)). +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)). conv_inp.F:191:55: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) @@ -21691,22 +21656,46 @@ 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) -cdft_inp.F:71:54: +grid_inp.F:144:60: - 32 | if (.not.rtdb_get(rtdb,'dft:grid_make_sa',mt_log,1,grid_make_sa)) - | 2 + 81 | if (.not. rtdb_put(rtdb, 'dft:delley', mt_log, 1, ldelley)) + | 2 ...... - 71 | if (.not. rtdb_get(rtdb,'dft:ipop', mt_int, 1, ipop)) - | 1 + 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)). -cdft_inp.F:89:53: +dft_rdinput.F:99:52: - 66 | if (.not. rtdb_put(rtdb,'dft:dl_conv', mt_dbl, 1, dl_conv)) - | 2 + 73 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) + | 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)). + 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)). +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)). dft_input.F:184:53: 168 | if (.not. rtdb_put(rtdb, 'dft:idecomp', mt_int, 1, idecomp)) @@ -21763,38 +21752,6 @@ 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) -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)). -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)). dft_inpana.F:1093:28: 1075 | if (.not. rtdb_put(rtdb, 'dft:ipol', mt_int, 1, ipol)) @@ -21830,46 +21787,70 @@ Making all in scf_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft' Compiling dft_swapab.F... +Compiling dft_main0d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_main0d.F... +Compiling dft_scf.F... +Compiling print_irrep_occp.F... +Compiling dft_fockbld.F... +Compiling dft_scfutil.F... +Compiling dft_symbr.F... +Compiling dft_pstat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_scf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling print_irrep_occp.F... -Compiling dft_fockbld.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_scfutil.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_symbr.F... -Compiling dft_pstat.F... +Compiling fukui.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_canorg.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_diagn.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_dump_info.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_fant.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling fukui.F... dft_fockbld.F:125:42: 120 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) @@ -21878,7 +21859,6 @@ 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)). -Compiling dft_canorg.F... dft_fockbld.F:392:39: 293 | if (.not.ga_duplicate(g_focks(1),g_cosmo,'cosmo')) @@ -21919,16 +21899,12 @@ 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_printinfo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_diagn.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_dump_info.F... +Compiling dft_fock_efield.F... dft_main0d.F:118:59: 115 | if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, 0.d0)) @@ -21945,21 +21921,24 @@ 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_fant.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_printinfo.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_fock_efield.F... +Compiling dft_frac_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -22004,6 +21983,28 @@ 82 | double precision time1_pot,time2_pot | ^ note: 'time2_pot' was declared here +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_nwmolden.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)). +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) dft_scf.F:276:43: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) @@ -22044,6 +22045,10 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_scf.F:1099:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) @@ -22052,10 +22057,6 @@ 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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_scf.F:1100:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) @@ -22112,65 +22113,17 @@ 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) -dft_scfutil.F:109:72: - - 109 | & 1, 1, nbf_ao, 1, 1) - | 1 -Warning: More actual than formal arguments in procedure call at (1) -Compiling dft_frac_mo.F... -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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_nwmolden.F... +Compiling dft_spinflip.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_spinflip.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)). -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_quickguess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -dft_diagn.F:172:72: - - 172 | write(*,"(4x,'Diagonalization Time:',F13.1,'s')") time2-time1 - | ^ -Warning: 'time1' may be used uninitialized [-Wmaybe-uninitialized] -dft_diagn.F:53:28: - - 53 | double precision time1,time2 - | ^ -note: 'time1' was declared here +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft' dft_nwmolden.F:98:30: 57 | call ga_brdcst(2020, io_res, inntsize, 0) @@ -22179,12 +22132,6 @@ 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_quickguess.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft' dft_canorg.F:468:72: 468 | dft_nonzvecs=max(noc,dft_nonzvecs) @@ -22195,6 +22142,16 @@ 412 | integer function dft_nonzvecs(g_vecs,nbf,noc) | ^ note: '__result_dft_nonzvecs' was declared here +dft_diagn.F:172:72: + + 172 | write(*,"(4x,'Diagonalization Time:',F13.1,'s')") time2-time1 + | ^ +Warning: 'time1' may be used uninitialized [-Wmaybe-uninitialized] +dft_diagn.F:53:28: + + 53 | double precision time1,time2 + | ^ +note: 'time1' was declared here dft_scf.F:1573:13: 1573 | if(lvan) then @@ -22227,21 +22184,24 @@ note: 'time2' was declared here Compiling dft_dencvg.F... Compiling dft_densm.F... +Compiling dft_invdiag.F... +Compiling dft_mxovl.F... +Compiling dft_mxspin_ovlp.F... +Compiling dft_s2_value.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_invdiag.F... +Compiling dft_scfcvg.F... +Compiling diis_bld12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_mxovl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_mxspin_ovlp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -22250,24 +22210,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_s2_value.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_scfcvg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling diis_bld12.F... Compiling diis_bsolve.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling diis_core.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -22281,11 +22238,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling diis_hamwgt.F... -Compiling dft_fdist_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_fdist_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -22331,20 +22288,40 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/scf_dft_cg' Compiling dft_cscf.F... Compiling dft_cg_answer.F... +Compiling dft_cg_info.F... +Compiling dft_cg_guess.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_cg_solve.F... +Compiling dft_get_conv_info.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_roks_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_cg_info.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_cg_guess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_roks_fock.F... dft_cg_answer.F:39:56: 33 | if (.not. rtdb_put(rtdb,'scf:nclosed', mt_int, 1, nclosed)) @@ -22353,24 +22330,31 @@ 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_roks_hessv_2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_cg_solve.F... -Compiling dft_get_conv_info.F... +Compiling dft_roks_hessv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_roks_hessv_xx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_roks_energy.F... -Compiling dft_roks_fock.F... +Compiling dft_roks_nr_solve.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling dft_roks_hessv_2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -22378,7 +22362,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_roks_hessv.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_search_precond.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_roks_step_energy.F... +Compiling dft_uks_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -22387,7 +22385,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_roks_hessv_xx.F... dft_cg_info.F:54:11: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then @@ -22396,15 +22393,6 @@ 54 | $ nr_gswitch)) then | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) -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_nr_solve.F... dft_cg_info.F:60:56: 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then @@ -22421,20 +22409,14 @@ 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_roks_search_precond.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -dft_roks_hessv_2e.F:298:57: +dft_cg_solve.F:120:11: - 282 | & calc_type)) then - | 2 + 113 | if (.not.rtdb_get(rtdb, 'dft:fon', mt_log, 1, fon)) fon=.false. + | 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_step_energy.F... + 120 | & ssmear))then + | 1 +Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). dft_roks_fock.F:384:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) @@ -22475,42 +22457,60 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling dft_uks_energy.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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dft_uks_hessv_2e.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_roks_fock.F:435:72: 435 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] +dft_roks_fock.F:110:31: + + 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc + | ^ +note: 'time1_2e' was declared here +dft_roks_fock.F:435:72: + + 435 | & time2_2e-time1_2e + | ^ +Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] +dft_roks_fock.F:110:41: + + 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc + | ^ +note: 'time2_2e' was declared here +dft_roks_fock.F:472:72: + + 472 | & time2_xc-time1_xc + | ^ +Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] +dft_roks_fock.F:110:51: + + 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc + | ^ +note: 'time1_xc' was declared here +dft_roks_fock.F:472:72: + + 472 | & time2_xc-time1_xc + | ^ +Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] +dft_roks_fock.F:110:61: + + 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc + | ^ +note: 'time2_xc' was declared here dft_roks_hessv_2e.F:265:72: 265 | & time2_2e-time1_2e @@ -22555,42 +22555,57 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -dft_roks_fock.F:110:31: +Compiling dft_uks_nr_solve.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_uks_search_precond.F... +dft_uks_energy.F:251:72: - 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc + 251 | & time2_2e-time1_2e + | ^ +Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] +dft_uks_energy.F:26:31: + + 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here -dft_roks_fock.F:435:72: +dft_uks_energy.F:251:72: - 435 | & time2_2e-time1_2e + 251 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] -dft_roks_fock.F:110:41: +dft_uks_energy.F:26:41: - 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc + 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here -dft_roks_fock.F:472:72: +dft_uks_energy.F:272:72: - 472 | & time2_xc-time1_xc + 272 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] -dft_roks_fock.F:110:51: +dft_uks_energy.F:26:51: - 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc + 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here -dft_roks_fock.F:472:72: +dft_uks_energy.F:272:72: - 472 | & time2_xc-time1_xc + 272 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] -dft_roks_fock.F:110:61: +dft_uks_energy.F:26:61: - 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc + 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here -Compiling dft_uks_nr_solve.F... +Compiling dft_uks_step_energy.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_roks_nr_solve.F:292:72: 292 | & time2_rot-time1_rot @@ -22611,20 +22626,6 @@ 58 | double precision time1_rot, time2_rot | ^ note: 'time2_rot' was declared here -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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_uks_search_precond.F... -Compiling dft_uks_step_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -22669,50 +22670,6 @@ 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -dft_uks_energy.F:251:72: - - 251 | & time2_2e-time1_2e - | ^ -Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] -dft_uks_energy.F:26:31: - - 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc - | ^ -note: 'time1_2e' was declared here -dft_uks_energy.F:251:72: - - 251 | & time2_2e-time1_2e - | ^ -Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] -dft_uks_energy.F:26:41: - - 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc - | ^ -note: 'time2_2e' was declared here -dft_uks_energy.F:272:72: - - 272 | & time2_xc-time1_xc - | ^ -Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] -dft_uks_energy.F:26:51: - - 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc - | ^ -note: 'time1_xc' was declared here -dft_uks_energy.F:272:72: - - 272 | & time2_xc-time1_xc - | ^ -Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] -dft_uks_energy.F:26:61: - - 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc - | ^ -note: 'time2_xc' was declared here dft_uks_nr_solve.F:199:72: 199 | & time2_rot-time1_rot @@ -22743,22 +22700,25 @@ Making all in so_dft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/so_dft' Compiling dft_scf_so.F... +Compiling dft_densmso.F... +Compiling dft_mxovlso.F... +Compiling grad_force_so.F... +Compiling dft_gradients_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_densmso.F... -Compiling dft_mxovlso.F... +Compiling vectors_so.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grad_force_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_gradients_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -22767,23 +22727,24 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling vectors_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling grad_dens_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling grad_dens_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grad1_so.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling diis_driver_so.F... +Compiling diis_bsolve_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling diis_bsolve_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -22793,6 +22754,41 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling diis_core_so.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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 diis_hamwgt_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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling diis_refvec_so.F... dft_scf_so.F:310:37: 304 | $ (rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) @@ -22833,6 +22829,10 @@ 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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_scf_so.F:2340:53: 347 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) @@ -22841,61 +22841,7 @@ 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 diis_core_so.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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) -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 diis_hamwgt_so.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling diis_refvec_so.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling movecs_anal_so.F... -Compiling getv_coul.F... -Compiling getv_exch0.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling getv_exchX.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] diis_refvec_so.F:29:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) @@ -22960,6 +22906,17 @@ 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 getv_coul.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling getv_exch0.F... +Compiling getv_exchX.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -22974,13 +22931,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling getv_exchZ.F... +Compiling getv_dftxc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling getv_dftxc.F... Compiling sym_mo_adapt_so.F... -Compiling sym_char_tab_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -22997,7 +22953,6 @@ 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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] movecs_anal_so.F:464:56: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, @@ -23006,17 +22961,8 @@ 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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling sym_char_tab_so.F... Compiling scf_sym_adap_so.F... -Compiling sym_mo_ap_op_so.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_op_clsfy_so.F... -Compiling ga_orth_mos_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -23025,10 +22971,28 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling sym_mo_ap_op_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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling sym_op_clsfy_so.F... sym_mo_adapt_so.F:436:30: 435 | call ga_igop(msg_sym_1, nmixed, 1, '+') @@ -23036,54 +23000,20 @@ 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) -dft_scf_so.F:1759:72: - - 1759 | ihigh = nfilled + nmo_fon + nmo_fon2 - | ^ -Warning: 'nfilled' may be used uninitialized [-Wmaybe-uninitialized] -dft_scf_so.F:60:21: - - 60 | integer nfilled, ilow, ihigh - | ^ -note: 'nfilled' was declared here -Compiling ga_orthog_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_op_cname_so.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grad_dens_so2.F... +Compiling ga_orth_mos_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 dft_scf_utils_so.F... sym_mo_adapt_so.F:343:18: 343 | if(i1 .eq. pair)i1 = i2 | ^ Warning: 'pair' may be used uninitialized [-Wmaybe-uninitialized] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] sym_mo_adapt_so.F:43:53: 43 | integer class, i, j, ioff, ir, ii, i1, i2, pair @@ -23099,6 +23029,33 @@ 43 | integer class, i, j, ioff, ir, ii, i1, i2, pair | ^ note: 'i2' was declared here +Compiling ga_orthog_so.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling sym_op_cname_so.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +dft_scf_so.F:1759:72: + + 1759 | ihigh = nfilled + nmo_fon + nmo_fon2 + | ^ +Warning: 'nfilled' may be used uninitialized [-Wmaybe-uninitialized] +dft_scf_so.F:60:21: + + 60 | integer nfilled, ilow, ihigh + | ^ +note: 'nfilled' was declared here +Compiling grad_dens_so2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_scf_utils_so.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -23112,6 +23069,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling getv_coul_cd.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_frac_mo_so.F:59:9: 48 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) @@ -23120,11 +23082,6 @@ 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). -Compiling getv_coul_cd.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] vectors_so.F:676:72: 676 | end @@ -23156,10 +23113,6 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/coulomb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/coulomb' Compiling dft_3cincor.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_mem3c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -23175,19 +23128,23 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dft_genspm.F... -Compiling dft_get2eri.F... -Compiling dft_getspm.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_get2eri.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling dft_getvc.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_getspm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_getvc.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -23232,47 +23189,54 @@ Making all in xc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/xc' Compiling xc_getv.F... +Compiling xc_getvxc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_getvxc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_exact_pot.F... -Compiling xc_sicutil.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_sicutil.F... Compiling chk_dens.F... -Compiling xc_util.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling xc_chkdispauto.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_util.F... +Compiling xc_chkdispauto.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_vdw_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling xc_vdw_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling 2ndDerivB97.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling 2ndDerivB97.c... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/xc' +2ndDerivB97.c: In function 'dft_xckernel_cb97_': +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:499:10: warning: variable 'Gec_a0' set but not used [-Wunused-but-set-variable] + 499 | double Gec_a0=0.0,Gec_b0=0.0; + | ^~~~~~ xc_util.F:368:55: 363 | xc_getxcfac=rtdb_get(rtdb, 'dft:xfac', mt_dbl, numfunc, @@ -23289,13 +23253,6 @@ 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)). -2ndDerivB97.c: In function 'dft_xckernel_cb97_': -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: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:592:13: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] 592 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ @@ -23309,32 +23266,40 @@ 501 | double Gec_b0_rb,Gec_b0_rbrb; | ^~~~~~~~~ Compiling xc_eval_basis.F... -Compiling a_dist.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling a_dist.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling eumac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qdist.F... +Compiling eumac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qdist.F... Compiling scat_mat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling setACmat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling setACmat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -23350,7 +23315,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_dirac_screened.F... -Compiling xc_fitv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -23359,29 +23323,22 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_fitv.F... Compiling xc_hfexch.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_lebedev.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_lebedev.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 xc_lyp88.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_lyp88.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -23417,11 +23374,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_vwn_1.F... -Compiling xc_vwn_1_rpa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_vwn_1_rpa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -23451,11 +23408,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_fd.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_eval_fnl.F:2046:29: 2046 | & 0d0, .false., 0d0, @@ -23466,47 +23418,27 @@ 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_hcth.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_xpbe96.F... +Compiling xc_hcth.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_xpbe96.F... Compiling xc_xpw91.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_tarad.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_murakn.F... -Compiling xc_mitani.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_mitani_dmr.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_signf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -23551,27 +23483,17 @@ 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here -Compiling xc_gill96.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_xmpw91.F... +Compiling xc_tarad.F... +Compiling xc_murakn.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_xpkzb99.F... -Compiling xc_cpkzb99.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling xc_mitani.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_cMpbe96.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -23586,6 +23508,7 @@ 30 | double precision fac, facl | ^ note: 'fac' was declared here +Compiling xc_mitani_dmr.F... xc_pbe96.F:934:13: 934 | if (id_cpbe.eq.3) then @@ -23616,81 +23539,56 @@ 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here -Compiling xc_xtpss03.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_ctpss03.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_oep.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_sic_pert.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_sic.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling localize_sic.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_signf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_optx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_gill96.F... +Compiling xc_xmpw91.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_optc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_atomblock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_xpkzb99.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_replicated.F... -Compiling xc_ft97.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_cpkzb99.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_cMpbe96.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_lb94.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_xtpss03.F... +Compiling xc_ctpss03.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_cs00.F... -Compiling xc_op.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_kop.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_oep.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_sic_pert.F... xc_pbe96.F:1420:72: 1420 | Ec = Ec+nepsc*qwght(n)*fac @@ -23776,22 +23674,81 @@ 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdtda' was declared here +Compiling xc_sic.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling localize_sic.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_optx.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_optc.F... +Compiling xc_atomblock.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_replicated.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_ft97.F... +Compiling xc_lb94.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_cs00.F... +Compiling xc_op.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_kop.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_bc95.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xm05.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_cm05.F... -Compiling xc_xpw6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_xpw6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -23801,6 +23758,9 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_cvs98.F... +Compiling xc_xm06.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) @@ -23841,52 +23801,19 @@ 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 +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_cm06.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at1' may be used uninitialized [-Wmaybe-uninitialized] -Compiling xc_cvs98.F... xc_xm05.F:53:26: 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 @@ -23907,6 +23834,10 @@ 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at11' may be used uninitialized [-Wmaybe-uninitialized] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] xc_xm05.F:54:37: 54 | double precision at, at10, at11, C1, C2, fL, fNL @@ -23992,66 +23923,92 @@ 53 | double precision at1, at2, at3, at4, at5, at6, at7, at8, at9 | ^ note: 'at9' 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_spbe96.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_xm06.F... -Compiling xc_cm06.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_spbe96.F... Compiling xc_kt1.F... -Compiling xc_ssbD_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_ssbD_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_s12x.F... +Compiling xc_cams12x.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_cams12x.F... +Compiling xc_camb88.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_camb88.F... Compiling xc_att_xc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling xc_camxpbe96.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_camxlsd.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_camxlsd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling xc_xwpbe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_xwpbe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -24062,16 +24019,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xsogga.F... -Compiling xc_xmvs15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_xmvs15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling xc_xm11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_xm11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -24086,6 +24043,7 @@ 278 | $ fb0+fb1+fb2+fb3+fb4+fb5 | ^ Warning: 'cxa0' may be used uninitialized [-Wmaybe-uninitialized] +Compiling xc_xmn15.F... xc_xsogga.F:56:27: 56 | double precision CxA0,CxA1,CxA2,CxA3,CxA4,CxA5 @@ -24166,22 +24124,16 @@ 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb5' was declared here -Compiling xc_xmn15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_csogga.F... -Compiling xc_cm11.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling steric_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_cm11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -24204,6 +24156,11 @@ xc_csogga.F:65:40: Warning: 'ccb[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[5]' may be used uninitialized [-Wmaybe-uninitialized] +Compiling steric_energy.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_3rd_deriv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -24216,10 +24173,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xb86b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling xc_xdm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_xdm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -24230,6 +24187,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ts_tf.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -24245,14 +24210,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_xscan.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 xc_cscan.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -24262,6 +24219,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_xscanl.F... xc_xn12.F:264:72: 264 | $ CC30*FV**3+CC31*FV**3*U+CC32*FV**3*U**2+CC33*FV**3*U**3 @@ -24377,22 +24335,15 @@ 211 | CC33 = -2.41834D+00 | ^ Warning: 'cc33' may be used uninitialized [-Wmaybe-uninitialized] -Compiling xc_xscanl.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling xc_cscanl.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ts_pc.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_xncap.F... xc_xscan.F:334:72: 334 | dFxda = G*(dHda + dFada*(rH0 - H) - Fa*dHda) @@ -24548,10 +24499,22 @@ 159 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadt' was declared here +Compiling ts_pc.F... +Compiling xc_xncap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_xr2scan.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_xr2scanl.F... xc_cscan.F:341:72: 341 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) @@ -24612,12 +24575,21 @@ 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadt' was declared here -Compiling xc_xr2scan.F... -Compiling xc_xr2scanl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_cr2scan.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_cr2scanl.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_hcth_extra.F... xc_cscanl.F:359:72: 359 | & dfcadt*(Ec0-Ec1)*dtdgb) @@ -24647,21 +24619,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_cr2scan.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_cr2scanl.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xc_hcth_extra.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_rhogen_adft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -24669,10 +24626,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling xc_tabcd_adft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling xc_vdw_main.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_vdw_main.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -24707,31 +24664,31 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/util' Compiling ga_chol.F... Compiling ga_inverse.F... +Compiling ga_chol_seq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ga_inv_seq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ga_chol_seq.F... -Compiling ga_inv_seq.F... -Compiling dft_invio.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_print_mats.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_invio.F... +Compiling dft_print_mats.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling dft_save_mats.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_save_mats.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/util' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -24750,17 +24707,18 @@ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling dft_gather.F... +Compiling dft_header.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_header.F... Compiling dft_mpole.F... Compiling dft_scatter.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_tstamp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -24769,18 +24727,13 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_tstamp.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dft_pstrace.F... Compiling get_col.F... -Compiling movecs_log.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling movecs_log.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -24791,11 +24744,15 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_frozemb_fde.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_frozemb_fde.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -24806,8 +24763,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_utilmap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling dft_utilmap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -24815,16 +24772,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_genutils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_genutils.F... +Compiling dft_cholinv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_cholinv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -24855,6 +24812,11 @@ 134 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) +dft_utilmap.F:125:72: + + 125 | A (get_lo(3).le.get_hi(3)) + | ^ +Warning: 'get_lo' may be used uninitialized [-Wmaybe-uninitialized] dft_frozemb_fde.F:238:20: 37 | if (rtdb_get(rtdb, 'dft:cam_exch', mt_log, 1, cam_exch)) then @@ -24863,29 +24825,16 @@ 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)). -dft_utilmap.F:125:72: - - 125 | A (get_lo(3).le.get_hi(3)) - | ^ -Warning: 'get_lo' may be used uninitialized [-Wmaybe-uninitialized] dft_utilmap.F:70:23: 70 | integer get_lo(3),get_hi(3) | ^ note: 'get_lo' declared here +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_utilmap.F:125:72: 125 | A (get_lo(3).le.get_hi(3)) @@ -24896,6 +24845,14 @@ 70 | integer get_lo(3),get_hi(3) | ^ note: 'get_hi' declared here +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)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/util' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/util' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock @@ -24907,10 +24864,6 @@ Making all in grid make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/grid' Compiling grid_sic.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_checks.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -24931,19 +24884,19 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grid_setquad.F... -Compiling grid_setrad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling grid_setquad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling grid_setrad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_setang.F... -Compiling grid_invariant.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling grid_invariant.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -24952,34 +24905,69 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling grid_setspac_params.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_acc_def.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grid_memory.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling grid_memory.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grid_update_rtdb.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)). +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) grid_list.F:143:25: 143 | if (r.lt.r1) then @@ -25020,28 +25008,21 @@ 33 | & r4, RR, q1 | ^ note: 'r4' was declared here +Compiling grid_update_rtdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_tasks.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -25053,22 +25034,6 @@ 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) -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') @@ -25085,48 +25050,30 @@ 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) +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_gen_pts.F... Compiling grid_setspac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_neighb.F... -grid_checks.F:66:72: - - 66 | iangquad=iag_old - | ^ -Warning: 'iag_old' may be used uninitialized [-Wmaybe-uninitialized] Compiling grid_cleanup.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -grid_checks.F:31:42: - - 31 | , k_iscr,l_iscr,k_rq,l_rq,iag_old - | ^ -note: 'iag_old' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -25142,24 +25089,30 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling grid_init.F... -Compiling grid_loop.F... +grid_checks.F:66:72: + + 66 | iangquad=iag_old + | ^ +Warning: 'iag_old' may be used uninitialized [-Wmaybe-uninitialized] +grid_checks.F:31:42: + + 31 | , k_iscr,l_iscr,k_rq,l_rq,iag_old + | ^ +note: 'iag_old' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling grid_loop.F... Compiling grid_xcfit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dftg_loop.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling dftg_loop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/grid' grid_init.F:83:22: @@ -25170,24 +25123,23 @@ 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_pscreen.F... -Compiling grid_sphere.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling grid_pscreen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling grid_ssw.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grid_sswold.F... +Compiling grid_sphere.F... +Compiling grid_ssw.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grid_beckew.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling grid_sswold.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -25195,47 +25147,42 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling grid_beckew.F... Compiling grid_signf.F... +Compiling grid_quadvw.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grid_quadvw.F... -Compiling grid_quadvw1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling grid_bucket.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling grid_quadvw1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grid_utils.F... -Compiling grid_sympts.F... +Compiling grid_bucket.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grid_qpts.F... +Compiling grid_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grid_quadv0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling grid_sympts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling grid_qpts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grid_quadv0a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -25248,7 +25195,6 @@ 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_quadv0b.F... grid_sswold.F:91:72: 91 | radwgh=(1.d0-ass)*sqrt(distnn)*0.5d0 @@ -25259,6 +25205,36 @@ 36 | double precision ass,distnc,distnn,wsum | ^ note: 'ass' was declared here +Compiling grid_quadv0.F... +Compiling grid_quadv0a.F... +Compiling grid_quadv0b.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling grid_quadvc.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling grid_file.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling grid_eaf.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] grid_quadv0.F:463:72: 463 | & dbl_mb(irdens_atom), nbf_xc_mxnbf_ce) @@ -25288,33 +25264,6 @@ 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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grid_quadvc.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grid_file.F... -Compiling grid_eaf.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] grid_quadv0b.F:302:11: 289 | & iniz, docset, bas_cent_info, bas_cset_info) @@ -25379,6 +25328,24 @@ 830 | & .false.,0d0,0d0,0d0) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) +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_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 grid_quadv0a.F:243:9: 243 | if(oprint_qbecke) then @@ -25459,16 +25426,6 @@ 149 | integer ixyz_fde, lxyz_fde | ^ note: 'ixyz_fde' declared here -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 make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/grid' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/grid' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwdft.lock @@ -25480,71 +25437,100 @@ Making all in dftgrad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/dftgrad' Compiling dft_grad_top.F... +Compiling dftg_getxc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dftg_getxc.F... Compiling dft_gradients.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grad_dft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling grad_dft.F... Compiling dftg_getcden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dftg_getxden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling dftg_getxden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +dftg_getxc.F:218:72: + + 218 | tol_rho = tol_rho_scf + | ^ +Warning: 'tol_rho_scf' may be used uninitialized [-Wmaybe-uninitialized] +dftg_getxc.F:50:34: + + 50 | double precision tol_rho_scf ! store scf tol_rho before hack + | ^ +note: 'tol_rho_scf' was declared here Compiling dftg_gridpart.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dftg_gridv0a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dftg_gridv0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling dftg_gridv0b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dftg_gridv0a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling dftg_gridv0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dftg_griddo.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dftg_gridv0b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dftg_griddo.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/dftgrad' -dftg_getxc.F:218:72: - - 218 | tol_rho = tol_rho_scf - | ^ -Warning: 'tol_rho_scf' may be used uninitialized [-Wmaybe-uninitialized] -dftg_getxc.F:50:34: - - 50 | double precision tol_rho_scf ! store scf tol_rho before hack - | ^ -note: 'tol_rho_scf' was declared here +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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_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_gridv0a.F:162:72: + + 162 | & call errquit('dft_gridv0a: get multipliers failed', 0) + | 1 +Warning: Missing actual argument for argument '_formal_7' at (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)). dft_gradients.F:544:52: 143 | if (.not.rtdb_get(rtdb,'dft:cgmin', mt_log, 1, cgmin)) @@ -25577,19 +25563,6 @@ 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) -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) dftg_gridv0.F:195:9: 177 | if (.not. rtdb_get(rtdb, 'dft:grad_nq', mt_int, 1, nqstep)) @@ -25608,58 +25581,32 @@ 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-1 and scalar) -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_cdfit.F... -Compiling dftg_quadv0b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling dftg_quadv0b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dftg_grad2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dftg_grad2.F... Compiling dint_block_j.F... -Compiling j_nucder_gen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling j_nucder_gen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dftg_beckew.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dftg_wderiv.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dftg_gridssw.F... dftg_grad2.F:35:45: 35 | call dftg_grad2_gen(d_ija, d_kla, frc, hess, g_dj, g_dens, @@ -25670,6 +25617,22 @@ 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 dftg_wderiv.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dftg_gridssw.F... +Compiling dftg_gridsswold.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dftg_signf.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dftg_cdfit.F:31:43: 31 | & iga_dens, force, 0d0, 0, 0d0, @@ -25685,12 +25648,10 @@ 31 | & iga_dens, force, 0d0, 0, 0d0, | 1 Warning: Rank mismatch in argument 'db' at (1) (rank-3 and scalar) -Compiling dftg_gridsswold.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dftg_signf.F... Compiling dftg_quadv0b_adft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -25700,10 +25661,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] j_nucder_gen.F:21:55: 21 | call j_deriv_gen(g_dens, oactive, nactive, hess, 0, 2) @@ -25725,27 +25682,61 @@ Making all in lr_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft' Compiling tddft_energy.F... +Compiling tddft_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_init.F... -Compiling tddft_input.F... +Compiling tddft_memory.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_iguess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling tddft_dump.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_memory.F... -Compiling tddft_iguess.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling tddft_davidson.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_transfm.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_contract.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_epsilon.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_subspace.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_diagon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_dump.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -25766,11 +25757,6 @@ 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_davidson.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tddft_energy.F:163:54: 135 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) @@ -25779,6 +25765,14 @@ 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_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)). tddft_energy.F:308:56: 210 | if (.not. rtdb_put(rtdb,'cosmo_phase',mt_int,1,cosmo_phase)) @@ -25787,26 +25781,14 @@ 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_transfm.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_contract.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_epsilon.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_subspace.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)). tddft_init.F:151:55: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then @@ -25815,7 +25797,6 @@ 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)). -Compiling tddft_diagon.F... tddft_init.F:200:56: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then @@ -25880,61 +25861,48 @@ 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) -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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_residual.F... +Compiling tddft_analysis.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_residual.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_analysis.F... +Compiling tddft_dftinit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_dftinit.F... +Compiling tddft_finalize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_finalize.F... +Compiling tddft_schmidt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_schmidt.F... Compiling tddft_fold.F... +Compiling tddft_bdtensor.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_patch.F... +Compiling tddft_civecs_phase.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_bdtensor.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] tddft_analysis.F:241:46: 216 | if (.not.rtdb_get(rtdb,'tddft:do_s2',mt_log,1,do_s2)) @@ -25951,7 +25919,9 @@ 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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tddft_analysis.F:1775:40: 1439 | + 1,osc_str)) then @@ -25968,16 +25938,8 @@ 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_patch.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_civecs_phase.F... Compiling tddft_oscstr.F... +Compiling tddft_checkpoint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -25986,22 +25948,22 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_checkpoint.F... +Compiling tddft_restart.F... +Compiling tddft_s2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_restart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_s2.F... Compiling tddft_simpleso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_lanczos.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -26014,18 +25976,11 @@ 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_lanczos.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_lanczos_tda.F... -Compiling tddft_dipole.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_prod_v.F... tddft_lanczos.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. @@ -26042,30 +25997,12 @@ 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_basis.F... -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft' -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -tddft_analysis.F:1119:20: - - 1119 | if (lvelok) then - | ^ -Warning: 'lvelok' may be used uninitialized [-Wmaybe-uninitialized] -tddft_analysis.F:149:20: - - 149 | logical lvelok ! check for division by zero in vel. gauge - | ^ -note: 'lvelok' was declared here tddft_lanczos_tda.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. @@ -26082,6 +26019,16 @@ 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_basis.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft' +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tddft_basis.F:105:29: 61 | call int_init(rtdb, 1, cd_bas_han) @@ -26098,6 +26045,16 @@ 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)). +tddft_analysis.F:1119:20: + + 1119 | if (lvelok) then + | ^ +Warning: 'lvelok' may be used uninitialized [-Wmaybe-uninitialized] +tddft_analysis.F:149:20: + + 149 | logical lvelok ! check for division by zero in vel. gauge + | ^ +note: 'lvelok' was declared here Compiling tddft_fock_fit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -26114,11 +26071,11 @@ Making all in lr_tddft_grad make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/lr_tddft_grad' Compiling tddft_gradient.F... -Compiling tddft_grad_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_grad_init.F... Compiling tddft_grad_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -26134,7 +26091,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_grad_ints.F... tddft_gradient.F:154:55: 143 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) @@ -26163,6 +26119,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_grad_ints.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_grad_print_header.F... tddft_grad_input.F:45:19: 37 | & iroot)) call errquit(pname//'failed to write iroot',0,RTDB_ERR) @@ -26171,11 +26133,6 @@ 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_print_header.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_e.F... tddft_grad_init.F:179:56: @@ -26185,6 +26142,7 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] tddft_grad_init.F:201:53: 175 | if (.not.rtdb_get(rtdb,'dft:xfac',mt_dbl,numfunc,xfac)) @@ -26201,17 +26159,20 @@ 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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling tddft_grad_root_e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_grad_root_e.F... Compiling tddft_grad_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -26221,26 +26182,22 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling tddft_grad_load_xy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_grad_load_xy.F... Compiling tddft_grad_tp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_compute_t.F... -Compiling tddft_grad_r.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_grad_r.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -26255,11 +26212,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_grad_trans_ao2mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_grad_trans_ao2mo.F... Compiling tddft_grad_mat_to_vec.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -26274,16 +26231,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -tddft_grad_trans_mo2ao.F:196:72: - - 196 | ahi(1) = ir - | ^ -Warning: 'iroot' may be used uninitialized [-Wmaybe-uninitialized] -tddft_grad_trans_mo2ao.F:98:19: - - 98 | integer iroot ! the first root to be transformed - | ^ -note: 'iroot' was declared here tddft_grad_compute_r.F:644:60: 182 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) @@ -26292,7 +26239,6 @@ 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_epsilon.F... tddft_grad_trans_ao2mo.F:199:72: 199 | blo(1) = (ip-1)*nroot+ir @@ -26303,7 +26249,23 @@ 98 | integer iroot ! the first root to be transformed | ^ note: 'iroot' was declared here +tddft_grad_trans_mo2ao.F:196:72: + + 196 | ahi(1) = ir + | ^ +Warning: 'iroot' may be used uninitialized [-Wmaybe-uninitialized] +Compiling tddft_grad_epsilon.F... +tddft_grad_trans_mo2ao.F:98:19: + + 98 | integer iroot ! the first root to be transformed + | ^ +note: 'iroot' was declared here +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_solve_product.F... +Compiling tddft_grad_solve_precond.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -26312,7 +26274,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_grad_solve_precond.F... +Compiling tddft_grad_compute_p.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -26325,43 +26287,33 @@ 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_compute_p.F... Compiling tddft_grad_compute_w.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_g.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_compute_dao.F... +Compiling tddft_grad_get_dens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_grad_get_dens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_compute_g.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_grad_grad_1e.F... -Compiling tddft_grad_grad_2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling tddft_grad_grad_1e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_grad_make_2pdm.F... +Compiling tddft_grad_grad_2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -26374,12 +26326,12 @@ 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_print_result.F... +Compiling tddft_grad_make_2pdm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_grad_print_array.F... +Compiling tddft_grad_print_result.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -26388,16 +26340,17 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_grad_print_array.F... Compiling tddft_grad_compute_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_grad_anti_symmetrize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_grad_anti_symmetrize.F... tddft_grad_compute_g.F:823:42: 621 | call tddft_grad_print_array(ipol,1,g_d,dble(ipol)) @@ -26414,7 +26367,6 @@ 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) -Compiling tddft_grad_gxc.F... tddft_grad_compute_g.F:932:47: 587 | & g_d, dum, dum, g_rhs_xc, calc_type, @@ -26423,6 +26375,11 @@ 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_gxc.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -26453,37 +26410,40 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tddft_grad_store_gradient.F... +Compiling tddft_grad_util_print.F... +Compiling tddft_grad_solve_load_x.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_grad_util_print.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_grad_solve_load_x.F... Compiling tddft_grad_solve_save_x.F... -Compiling tddft_grad_dxcdmat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_grad_dxcdmat.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling tddft_grad_dfxc.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_grad_quadv0b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tddft_grad_quadv0b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tddft_grad_dvxc.F... tddft_grad_solve_load_x.F:121:28: 106 | call ga_brdcst(1001,x_exists,ma_sizeof(MT_LOG,1,MT_BYTE),0) @@ -26492,11 +26452,8 @@ 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_dvxc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -26527,10 +26484,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling dft_zora_rhos_so.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_zora_rhos_so.F... Compiling gridNuclearPotential.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -26541,36 +26498,36 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling gridQpqPotential.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gridQpqPotential.F... -Compiling grid_moments.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling zora_getv_EFGZ4_SR.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling grid_moments.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling zora_getv_EFGZ4_SR.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_zora_EFGZ4_SR.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zora_getv_EFGZ4_SO.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling calc_zora_EFGZ4_SO.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling calc_zora_EFGZ4_SO.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -26626,6 +26583,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_zora_EPR-NMR_tools.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_zora_utils.F:213:72: 213 | scale_MO=scf_dbl @@ -26636,17 +26598,29 @@ 44 | double precision eval_scal,ener_scal,scf_dbl | ^ note: 'scf_dbl' was declared here -Compiling dft_zora_EPR-NMR_tools.F... +Compiling zora_getv_EPR.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zora_getv_EPR.F... +Compiling calc_zora_EPR.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling calc_zora_EPR.F... +Compiling dft_zora_Hyperfine.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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_rhos.F:560:41: 560 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) @@ -26655,10 +26629,6 @@ 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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_zora_rhos.F:564:38: 553 | $ 1,efgz4atoms)) @@ -26707,19 +26677,6 @@ 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)). -Compiling dft_zora_Hyperfine.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_NMR.F:1086:37: 265 | status=rtdb_get(rtdb,'prop:shldfile',mt_int,1,shldfile) ! for NLMO analysis @@ -26741,6 +26698,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling calc_zora_HFine.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling zora_getv_sf.F... +dft_zora_EPR.F:376:72: + + 376 | factor=(-0.25d0)*coeffpol*ppt + | ^ +Warning: 'coeffpol' may be used uninitialized [-Wmaybe-uninitialized] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +dft_zora_EPR.F:339:39: + + 339 | double precision toac(2),coeffpol,toscale + | ^ +note: 'coeffpol' was declared here dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) @@ -26761,26 +26738,32 @@ 458 | integer noc1 ! Total # of occupied MOs | ^ note: 'noc1' declared here -Compiling calc_zora_HFine.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 calc_EFG.F... dft_zora_EPR-NMR_tools.F:1572:37: 294 | call ga_get(g_AtNr1,1,1,1,nlist,dbl_mb(k_AtNr),1) @@ -26797,7 +26780,10 @@ 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_so.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_zora_Hyperfine.F:1515:38: 1504 | $ 1,hfineatoms)) @@ -26814,80 +26800,51 @@ 1504 | $ 1,hfineatoms)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling calc_EFG.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling calc_zora_sf.F... -zora_getv_sf.F:293:72: +zora_getv_so.F:282:72: - 293 | g_dens(1)=g_dens0(1) + 282 | g_dens(1)=g_dens0(1) | ^ Warning: 'g_dens0[0]' may be used uninitialized [-Wmaybe-uninitialized] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -zora_getv_sf.F:62:37: +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_sf.F:294:72: +zora_getv_so.F:283:72: - 294 | if(ipol.eq.2) g_dens(2)=g_dens0(2) + 283 | 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: +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_zora_so.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling calc_zora_facs.F... +Compiling calc_zora_sf.F... dft_zora_Hyperfine.F:814:72: 814 | & nexc) | ^ Warning: 'k_zetanuc' may be used uninitialized [-Wmaybe-uninitialized] +Compiling calc_zora_so.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dft_zora_Hyperfine.F:782:33: 782 | integer l_zetanuc,k_zetanuc | ^ note: 'k_zetanuc' declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling calc_zora_facs.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 get_ints_zora.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -26915,11 +26872,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dft_xps.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_xps.F... Compiling dft_polfromsos.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -26948,8 +26905,8 @@ Making all in rt_tddft make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft' Compiling rt_tddft.F... -Making all in matutils f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Making all in matutils f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -26973,22 +26930,33 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pack_ga2buffer.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling pack_ga2buffer.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling matutils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling matutils.F... Compiling dmat_io.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zmat_diag.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling zmat_inv.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling zmat_checksum.F... pack_buffer2ga.F:138:39: 60 | call ga_put (g_a, 1, n, i, i, dbl_mb(itmp), n) @@ -26997,11 +26965,14 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling zmat_spectral_range.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zmat_inv.F... pack_ga2buffer.F:133:39: 57 | call ga_get (g_a, 1, n, i, i, dbl_mb(itmp), n) @@ -27010,30 +26981,21 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zmat_checksum.F... -Compiling zmat_spectral_range.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling zmat_max_abs_elem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zmat_compare.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +zmat_checksum.F:44:72: + + 44 | $ call errquit (pname//"n1 must equal n2") + | 1 +Warning: Missing actual argument for argument '_formal_7' at (1) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -27048,27 +27010,22 @@ 154 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) -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) -zmat_checksum.F:44:72: - - 44 | $ call errquit (pname//"n1 must equal n2") - | 1 -Warning: Missing actual argument for argument '_formal_7' at (1) 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 elem_compare.F... -Compiling calc_array_partitioning.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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling calc_array_partitioning.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -27162,25 +27119,25 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/rtutils' Compiling rt_tddft_debug.F... Compiling rt_tddft_header.F... -Compiling rt_tddft_output.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rt_tddft_output.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rt_tddft_calc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling rt_tddft_calc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rt_tddft_movecs_gs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rt_tddft_movecs_gs.F... Compiling rt_tddft_movecs_import.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -27202,17 +27159,17 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_geom_mask.F... -Compiling rt_tddft_estimate_rem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rt_tddft_estimate_rem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rt_tddft_vec_quad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling rt_tddft_vec_quad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -27281,66 +27238,65 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_zora_scale.F... -Compiling rt_tddft_project.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rt_tddft_project.F... Compiling rt_tddft_zdens_tot_movecs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling rt_tddft_restart.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rt_tddft_mocap.F... +Compiling rt_tddft_restart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling rt_tddft_mocap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rt_tddft_calc_dip_contribs.F... -rt_tddft_movecs_import.F:330:72: +rt_tddft_snapshot.F:205:72: - 330 | call rt_tddft_movecs_fname (params, rt_movecs_fname) + 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_movecs_import.F:363:72: +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +rt_tddft_snapshot.F:276:20: - 363 | $ mo_nsets, mo_ns_mo) - | 1 + 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_movecs_import.F:386:72: +rt_tddft_snapshot.F:287:72: - 386 | $ dbl_mb(iocc), dbl_mb(ievals)) + 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_movecs_import.F:576:72: +rt_tddft_snapshot.F:314:13: - 576 | call rt_tddft_movecs_fname (params, rt_movecs_fname) - | 1 + 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_movecs_import.F:642:72: +rt_tddft_snapshot.F:328:72: - 642 | $ dbl_mb(iocc), dbl_mb(ievals)) + 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_movecs_import.F:661:72: +rt_tddft_snapshot.F:332:72: - 661 | $ dbl_mb(iocc), dbl_mb(ievals)) + 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_calc_dip_contribs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rt_tddft_spatialcap.F... rt_tddft_calc.F:363:31: 171 | call rt_tddft_geom_mask (params, params%g_dip%x, ig, g_dip_maskd) @@ -27349,56 +27305,44 @@ 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)). -rt_tddft_restart.F:240:29: +rt_tddft_calc_dip_contribs.F:207:25: - 237 | call ga_brdcst(100001, it_in, msglen, 0) - | 2 + 183 | $ (1d0,0d0), params%g_zX, g_zCprime, (0d0,0d0), g_zCao) + | 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -rt_tddft_snapshot.F:205:72: + 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)). +rt_tddft_movecs_import.F:330:72: - 205 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) + 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_snapshot.F:276:20: +rt_tddft_movecs_import.F:363:72: - 276 | itreference = rt_tddft_find_itreference (params) - | 1 + 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_snapshot.F:287:72: +rt_tddft_movecs_import.F:386:72: - 287 | $ params%viz_treference, fname_tail) + 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_snapshot.F:314:13: +rt_tddft_movecs_import.F:576:72: - 314 | if (rt_tddft_at_snap (params, tt)) then - | 1 + 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_snapshot.F:328:72: +rt_tddft_movecs_import.F:642:72: - 328 | call rt_tddft_snapshot_fname (params, it, tt, fname_tail) + 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_snapshot.F:332:72: +rt_tddft_movecs_import.F:661:72: - 332 | $ fname_tail_cube) + 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) -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)). rt_tddft_excite.F:376:47: 376 | val = val * rt_tddft_hann_window (field, tt) @@ -27427,14 +27371,27 @@ 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)). -rt_tddft_calc_dip_contribs.F:207:25: +rt_tddft_restart.F:240:29: - 183 | $ (1d0,0d0), params%g_zX, g_zCprime, (0d0,0d0), g_zCao) - | 2 + 237 | call ga_brdcst(100001, it_in, msglen, 0) + | 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)). + 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_spatialcap.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_spatial_potential.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -27577,8 +27534,13 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling rt_tddft_input_print.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling rt_tddft_input_excite.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -27590,11 +27552,6 @@ 110 | $ mt_dbl,1,tol_zero)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rt_tddft_input_excite.F... Compiling rt_tddft_input_tolerances.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -27602,24 +27559,15 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_input_visualization.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rt_tddft_input_mocap.F... -Compiling rt_tddft_input_spatialcap.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling rt_tddft_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rt_tddft_input_mocap.F... +Compiling rt_tddft_input_spatialcap.F... rt_tddft_input_visualization.F:131:59: 119 | if (.not.rtdb_put(rtdb,'rt_tddft:viz_tstart',mt_dbl,1,tstart)) @@ -27628,6 +27576,15 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rt_tddft_input.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] rt_tddft_input_field.F:218:72: 218 | call rt_tddft_field_rtdb_get (rtdb, i, prev_field) @@ -27642,6 +27599,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). rt_tddft_input_spatialcap.F:227:60: 165 | if (.not. rtdb_put (rtdb, trim(tag),mt_dbl,1,rstart)) @@ -27666,24 +27631,6 @@ 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) -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)). -rt_tddft_input_spatialcap.F:212:72: - - 212 | qmin(1) = qmin(1)*posconv - | ^ -Warning: 'posconv' may be used uninitialized [-Wmaybe-uninitialized] -rt_tddft_input_spatialcap.F:37:33: - - 37 | double precision :: posconv - | ^ -note: 'posconv' was declared here rt_tddft_input.F:136:22: 65 | $ mt_int,1,nfields)) @@ -27707,6 +27654,16 @@ 404 | $ "invalid exponentiation method: "//method) | 1 Warning: Missing actual argument for argument '_formal_6' at (1) +rt_tddft_input_spatialcap.F:212:72: + + 212 | qmin(1) = qmin(1)*posconv + | ^ +Warning: 'posconv' may be used uninitialized [-Wmaybe-uninitialized] +rt_tddft_input_spatialcap.F:37:33: + + 37 | double precision :: posconv + | ^ +note: 'posconv' was declared here rt_tddft_input_excite.F:223:72: 223 | call rt_tddft_excite_rtdb_put (rtdb, nexcites, excite) @@ -27729,18 +27686,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling rt_tddft_init_fock2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rt_tddft_init_fock2e.F... Compiling rt_tddft_init_geoms.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -27753,15 +27706,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_init_check_params.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling rt_tddft_init_overlap_canorg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rt_tddft_init_overlap_canorg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_init_common.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rt_tddft_clean.F... rt_tddft_init_coulcdfit.F:217:72: 217 | params%iwhat_max = iwhat_max @@ -27792,21 +27750,12 @@ 44 | integer fd | ^ note: 'fd' was declared here -Compiling rt_tddft_clean.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 task_rt_tddft.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling task_rt_tddft.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -27814,6 +27763,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). rt_tddft_init_check_params.F:41:72: 41 | call rt_tddft_init_check_fields (params) @@ -27843,15 +27800,15 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling canorg_clean.F... +Compiling canorg_trans.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling canorg_trans.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -27891,28 +27848,28 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling exp_pseries.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling prop_euler.F... +Compiling prop_magnus_exp_bch.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling prop_magnus_exp_bch.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling prop_magnus_exp_bch_scaled.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling prop_magnus_exp_bch_scaled.F... +Compiling prop_magnus_ord2_interpol.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] 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 prop_magnus_ord2_interpol.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -27921,16 +27878,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling prop_rk4.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] 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_rk4.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -27945,16 +27902,16 @@ Making all in closedshell make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/rt_tddft/closedshell' Compiling zfock_cs_build.F... +Compiling zfock_cs_core.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zfock_cs_core.F... +Compiling zfock_cs_core_scalarzora.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zfock_cs_core_scalarzora.F... Compiling zfock_cs_coulcdfit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -27962,36 +27919,36 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zfock_cs_coul_exchre.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling zfock_cs_coul.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zfock_cs_coul.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling zfock_cs_dftxc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zfock_cs_dftxc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zfock_cs_exch.F... Compiling zfock_cs_exchim.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rt_tddft_cs_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rt_tddft_cs_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rt_tddft_cs_confirm.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -28000,21 +27957,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rt_tddft_cs_restart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rt_tddft_cs_restart.F... Compiling rt_tddft_cs_prop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rt_tddft_cs_tdfock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rt_tddft_cs_tdfock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -28050,16 +28007,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling zfock_os_core_scalarzora.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zfock_os_core_scalarzora.F... +Compiling zfock_os_coul.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zfock_os_coul.F... Compiling zfock_os_coulcdfit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -28070,31 +28027,31 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling zfock_os_dftxc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zfock_os_dftxc.F... +Compiling rt_tddft_os_init.F... +Compiling rt_tddft_os_confirm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rt_tddft_os_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rt_tddft_os_confirm.F... -Compiling rt_tddft_os_prop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rt_tddft_os_prop.F... +Compiling rt_tddft_os_tdfock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rt_tddft_os_tdfock.F... Compiling rt_tddft_os_checkpoint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -28147,11 +28104,11 @@ Making all in libxc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/libxc' Compiling nwchem_libxc_read.F... -Compiling nwchem_libxc_util.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwchem_libxc_util.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwdft/libxc' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -28194,8 +28151,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling x2c_getw_scalar.F... -Compiling x2c_getw_efg_scalar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling x2c_getw_efg_scalar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -28216,45 +28173,39 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_x2c_moment_scalar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling calc_x2c_wefg_scalar.F... -Compiling calc_x2c_wmoment_scalar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling calc_x2c_hfc_scalar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling calc_x2c_wmoment_scalar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling calc_x2c_hfc_scalar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling write_x2c_pc_dip.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 write_x2c_pc_dip.F... Compiling read_x2c_pc_dip.F... -Compiling x2c_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling x2c_utils.F... calc_x2c_efg_scalar.F:480:23: 176 | call ga_zero(g_efgint) @@ -28271,6 +28222,7 @@ 510 | & g_P,clo,chi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] calc_x2c_efg_scalar.F:522:12: 392 | & g_temp,clo,chi) @@ -28298,6 +28250,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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) calc_x2c_hfc_scalar.F:227:72: 227 | & pname//': g_u2c inconsistency', UNKNOWN_ERR) @@ -28325,17 +28282,17 @@ Making libraries in rimp2 make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rimp2' Compiling rimp2_v_e2.F... +Compiling mk_1d_shdist.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mk_1d_shdist.F... +Compiling ga_by_shells.F... +Compiling xf3ci_step12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ga_by_shells.F... -Compiling xf3ci_step12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -28345,6 +28302,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xform_3cints.F... rimp2_v_e2.F:164:56: 161 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) @@ -28357,20 +28315,19 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xform_3cints.F... Compiling occ_ranges.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling rimp2_xf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling close_3ci.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rimp2_xf.F... -Compiling close_3ci.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling open_3ci.F... @@ -28379,11 +28336,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_3cints.F... +Compiling get_3cints.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling get_3cints.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -28393,11 +28350,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dgecop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dgecop.F... Compiling lnblnk.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -28405,15 +28362,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling max_v_diag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling rimp2_parm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rimp2_parm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rimp2_timers.F... rimp2.F:130:54: 126 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) @@ -28422,6 +28378,7 @@ 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 rimp2_timers.F... rimp2_parm.F:31:20: 23 | If ( .NOT. RTDB_Get( RTDB, 'mp2:aotol2e', MT_Dbl, 1, Thresh) ) @@ -28431,28 +28388,28 @@ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). Compiling pr_corr_map.F... -Compiling prog_report.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling prog_report.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xf3ci_mem12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling xf3ci_mem12.F... Compiling iamax.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rimp2_e_mem.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/rimp2' +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -28465,11 +28422,11 @@ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling rimp2_denom.F... +Compiling sum_pairs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sum_pairs.F... Compiling xf3ci_s12a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -28480,11 +28437,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eval_3ci.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eval_3ci.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -28501,48 +28458,48 @@ Making libraries in stepper make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/stepper' Compiling stpr_cheker.F... -Compiling stpr_chkhess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling stpr_chkhess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling stpr_clnstp.F... -Compiling stpr_cneed.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling stpr_clnstp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling stpr_cross.f... +Compiling stpr_cneed.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling stpr_cross.f... stpr_chkhess.F:31:10: 31 | IF (LSYM) THEN | ^ Warning: 'lsym' may be used uninitialized [-Wmaybe-uninitialized] -Compiling stpr_driver.F... stpr_chkhess.F:11:18: 11 | LOGICAL LSYM | ^ note: 'lsym' was declared here -Compiling stpr_fndmde.F... +Compiling stpr_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling stpr_fndmde.F... +Compiling stpr_formup.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling stpr_formup.F... -Compiling stpr_gmass.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling stpr_gmass.f... Compiling stpr_hesupd.F... Compiling stpr_hmass.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -28552,11 +28509,11 @@ Compiling stpr_inihes.F... Compiling stpr_face.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_locate.f... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -28564,16 +28521,18 @@ Compiling stpr_mgeom.f... Compiling stpr_mkstep.F... Compiling stpr_mktri.f... -Compiling stpr_output.F... -Compiling stpr_place.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling stpr_output.F... +Compiling stpr_place.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling stpr_pmat.f... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] stpr_face.F:13:61: 13 | if (.not.rtdb_get(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) @@ -28582,6 +28541,9 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] stpr_face.F:454:62: 437 | if (.not.rtdb_put(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) @@ -28590,17 +28552,13 @@ 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_pmat.f... Compiling stpr_prntpd.f... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stpr_projec.f... Compiling stpr_putbck.f... Compiling stpr_readsq.F... Compiling stpr_save.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling stpr_setmass.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -28608,13 +28566,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling stpr_setmass.f... Compiling stpr_stepcor.F... +Compiling stpr_stepper.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling stpr_stepper.f... Compiling stpr_sumstc.F... Compiling stpr_tprntd.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -28625,6 +28582,7 @@ Compiling stpr_wlkchk.F... Compiling stpr_wrtsq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling stpr_walk.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -28632,26 +28590,25 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling stpr_walk.F... Compiling stpr_datestp.f... +Compiling distang.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling distang.F... -Compiling stpr_gh_at.F... -Compiling stpr_gen_aux.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling stpr_filenames.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling stpr_gh_at.F... +Compiling stpr_gen_aux.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling stpr_filenames.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling stepper_inp.F... @@ -28659,11 +28616,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/stepper' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/stepper' stpr_walk.F:176:14: 95 | if (.not. rtdb_get(rtdb, 'task:energy', MT_DBL, 1, energy)) @@ -28685,16 +28642,6 @@ 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)). -stpr_gen_aux.F:284:72: - - 284 | end - | ^ -Warning: '__result_stpr_check_genat_res' may be used uninitialized [-Wmaybe-uninitialized] -stpr_gen_aux.F:216:47: - - 216 | logical function stpr_check_genat_restart( - | ^ -note: '__result_stpr_check_genat_res' was declared here stpr_gh_at.F:874:12: 874 | if (ogeom_aliased) then @@ -28725,6 +28672,16 @@ 62 | double precision time_taskg1, time_taskg2 | ^ note: 'time_taskg2' was declared here +stpr_gen_aux.F:284:72: + + 284 | end + | ^ +Warning: '__result_stpr_check_genat_res' may be used uninitialized [-Wmaybe-uninitialized] +stpr_gen_aux.F:216:47: + + 216 | logical function stpr_check_genat_restart( + | ^ +note: '__result_stpr_check_genat_res' was declared here Compiling stpr_partit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -28743,45 +28700,45 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/driver' Compiling opt_drv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling oniom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling oniom.F... Compiling lbfgs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling lbfgs-b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling lbfgs-b.F... Compiling lbfgs-b_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling lbfgs_driver.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lbfgs_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling socket_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/driver' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/driver' lbfgs_driver.F:86:57: 71 | if(.not.rtdb_get(irtdb,'lbfgs:maxiter',mt_int,1,maxiter)) @@ -28803,6 +28760,22 @@ 578 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_12' at (1) +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(*)). lbfgs-b.F:4127:50: 4125 | do 30 j = 2, n @@ -28880,22 +28853,6 @@ 4167 | b(j) = b(j)/t(j,j) | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) -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(*)). oniom.F:186:11: 88 | $ usesymmol)) usesymmol=.false. @@ -29060,11 +29017,11 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/deloc' Compiling deloc_driver.F... Compiling deloc.F... -Compiling deloc_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling deloc_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -29093,8 +29050,8 @@ Making all in mepgs make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' Compiling mepgs_drv.F... -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -29145,19 +29102,6 @@ 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)). -Compiling mepgs_input.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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)). mepgs_drv.F:2299:72: 2299 | work(i3+1,k) = mass*xx @@ -29198,7 +29142,6 @@ 3087 | double precision check,dfn,dx,fn,itlamb,lambda,lower,upper | ^ note: 'lower' was declared here -make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' mepgs_drv.F:2916:10: 2916 | if (abs(gc(lowest)).lt.1.d-10) then @@ -29219,6 +29162,20 @@ 21 | double precision energyts | ^ note: 'energyts' was declared here +Compiling mepgs_input.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). +make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/mepgs' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.a mepgs_drv.o mepgs_input.o @@ -29287,7 +29244,6 @@ 1784 | double precision centroid(3), x, y, z, xx, yy, zz, fx | ^ note: 'zz' was declared here -Compiling tropt_input.F... tropt_drv.F:3142:72: 3142 | lower = max(tmp1,tmp2) @@ -29308,18 +29264,6 @@ 3036 | double precision tmp1,tmp2 | ^ note: 'tmp2' was declared here -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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)). tropt_drv.F:2697:14: 2697 | if (eigval(hfollow).gt.-eigval(bmin)) lambda = eigval(lowest) @@ -29340,6 +29284,19 @@ 2504 | integer iact, bmin, lowest, nneg | ^ note: 'lowest' was declared here +Compiling tropt_input.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/tropt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/tropt' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/liboptim.lock @@ -29351,26 +29308,34 @@ Making all in neb make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/neb' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/optim/neb' -Compiling neb_drv.F... -Compiling neb_utils.F... Compiling neb_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling bead_list.F... +Compiling neb_drv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling neb_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling bead_list.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). neb_drv.F:96:50: 81 | if (.not. rtdb_get(rtdb,'neb:gmax',mt_dbl,1,nebgmax)) @@ -29387,14 +29352,6 @@ 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)). -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)). neb_utils.F:863:54: 809 | if (.not. rtdb_get(rtdb,'neb:pathguess',mt_int,1,pathguess)) @@ -29487,18 +29444,17 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/cphf' Compiling cphf.F... Compiling cphf_poliz.F... -Compiling cphf_solve.F... -Compiling cphf_solve2.F... -Compiling cphf_solve3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling cphf_solve.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cphf_solve4.F... +Compiling cphf_solve2.F... +Compiling cphf_solve3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -29507,6 +29463,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cphf_solve4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -29523,14 +29480,6 @@ 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) -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_solve2.F:166:11: 159 | $ lshift)) lshift=0.0 @@ -29547,14 +29496,6 @@ 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)). -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)). cphf_solve4.F:153:11: 151 | $ precond_tol)) precond_tol=1d-4 @@ -29571,6 +29512,22 @@ 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)). +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)). cphf_solve3.F:227:11: 129 | if (.not. rtdb_get(rtdb, 'cphf:ncomp', mt_int, 1, ncomp)) call @@ -29600,60 +29557,56 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/ccsd' Compiling ccden_driver.F... Compiling ccden_interm2.F... -Compiling ccden_1pdm.F... -Compiling ccsd_driver.F... -Compiling ccsd_sortmo.F... -Compiling geaxpy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccden_2pdma.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccden_1pdm.F... +Compiling ccsd_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccden_2pdmb.F... -Compiling ccden_interm4.F... -Compiling ccsd_mktau_ga.F... +Compiling ccsd_sortmo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling geaxpy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling aoccsd2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccden_2pdma.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_itm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccden_2pdmb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsd_mktau_ga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccden_interm4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling aoccsd2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_itm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -29662,22 +29615,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_t2pm.F... -Compiling ccsd_pampt2.F... -Compiling ccsd_pampt3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_t2pm.F... ccsd_driver.F:357:57: 88 | if (.not. rtdb_get(rtdb, 'scf:nclosed', MT_INT, 1, nocc)) @@ -29686,6 +29629,7 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] ccsd_driver.F:384:20: 132 | $ occ_frozen)) @@ -29694,6 +29638,29 @@ 384 | $ MT_Dbl, 1, EMP2) ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_pampt2.F... +Compiling ccsd_pampt3.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_idx1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_idx2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] aoccsd2.F:319:11: 316 | if (.not.rtdb_get(rtdb,'ccsd:use_ccsd_omp',mt_log,1,use_ccsd_omp)) @@ -29702,12 +29669,7 @@ 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_idx1.F... -Compiling ccsd_idx2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_idx34.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -29736,11 +29698,6 @@ 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_idx34.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_tengy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -29758,20 +29715,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_trpdrv_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsd_trpdrv_omp_mixprec.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_trpdrv_omp_mixprec.F... +Compiling moints_trp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling moints_trp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -29782,13 +29739,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_get_param.F... -Compiling ccsd_iterdrv2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ccsd_get_param.F:21:22: @@ -29799,38 +29751,6 @@ 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_mktask.F... -Compiling ccsd_mkt2.F... -Compiling ccsd_pdiis.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_trpmo.F... moints_trp.F:136:72: 136 | $ ('moints: cannot get geometry', 0, GEOM_ERR) @@ -29886,9 +29806,6 @@ 296 | $ call errquit('moints_trp: push scr',mem2,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] moints_trp.F:309:72: 309 | $ call errquit('moints_trp: pop iscr',l_iscr,MA_ERR) @@ -29899,7 +29816,6 @@ 311 | $ call errquit('moints_trp: pop eri',l_eri,MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] moints_trp.F:315:72: 315 | $ call errquit('moints_trp: push hlp',n_hlp,MA_ERR) @@ -29970,22 +29886,69 @@ 453 | $ call errquit('moints_trp: pop sym',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) +Compiling ccsd_iterdrv2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_mktask.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_mkt2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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_pdiis.F... +Compiling ccsd_trpmo.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_rdtrpo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qstat.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling cputime.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rddcom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rddcom.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_input.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] qstat.F:182:34: 179 | call ga_dgop(msg_qstat_3,nrout,1,'min') @@ -29994,12 +29957,6 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_input.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -30084,35 +30041,35 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_zsig1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsd_zsig2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_zsig2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_z2pm.F... -Compiling ccsd_tzinta.F... -Compiling ccsd_tzintb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsd_tzinta.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_tzintb.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_mem.F... +Compiling ccsd_pstat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_pstat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -30140,56 +30097,52 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling vib_bstr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling vib_dsquar.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling vib_cebdab.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling vib_chkhess.F... +Compiling vib_clean.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling vib_dtrngl.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling vib_eckart.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling vib_cross.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling vib_dsquar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling vib_gtors.F... +Compiling vib_dtrngl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling vib_eckart.F... +Compiling vib_gtors.F... +Compiling vib_hmass.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling vib_hmass.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -30199,22 +30152,22 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_libe.F... -Compiling vib_nmass.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling vib_prdata.F... +Compiling vib_nmass.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling vib_prntpd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling vib_prdata.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling vib_prntpd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -30224,30 +30177,25 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_setup.F... -Compiling vib_transp.F... -Compiling vib_tors.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling vib_vib.F... +Compiling vib_tors.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling vib_transp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling vib_wmatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling vib_vib.F... vib_rdinp.F:95:44: 61 | if (rtdb_get(rtdb,'vib:project',MT_LOG,1,dum_log)) then @@ -30256,6 +30204,11 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling vib_wmatrix.F... Compiling vib_wrtfreq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -30264,11 +30217,21 @@ Compiling vib_zmatin.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_intense.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling vib_istep.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling vib_thermo.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] vib_wrtfreq.F:199:50: @@ -30279,32 +30242,26 @@ 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_istep.F... -Compiling vib_thermo.F... -Compiling vib_phonon.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling vib_phonon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_zone_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling vib_input.F... -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vib' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/vib' vib_istep.F:252:33: 248 | & mt_dbl,1,step_size)) then @@ -30403,41 +30360,41 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf' Compiling mcscf.F... Compiling mcscf_b.F... -Compiling mcscf_aux.F... -Compiling mcscf_ci.F... -Compiling mcscf_etr.F... -Compiling mcscf_fcore.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling mcscf_fock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mcscf_aux.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mcscf_ci.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mcscf_etr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling mcscf_fcore.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mcscf_fock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling mcscf_hdiag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mcscf_ohv.F... +Compiling mcscf_hdiag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mcscf_ohv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -30447,20 +30404,36 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mcscf_ohv2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling mcscf_ohv2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mcscf_ohvao.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). mcscf_b.F:222:52: 202 | call ga_put(g_dens, i, i, i, i, 2.d0, 1 ) @@ -30477,23 +30450,15 @@ 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_ohvmo.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: +mcscf_ci.F:158:59: - 863 | if (.not. rtdb_put(rtdb, 'mcscf:nclosed', mt_int, 1, nclosed)) - | 1 + 81 | if (.not.rtdb_get(rtdb,'mcscf:cimaxiter',MT_INT,1,maxiter)) + | 2 ...... - 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)). + 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_ohvmo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -30504,19 +30469,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mcscf_prcnd.F... +Compiling mcscf_debug.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_debug.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -30526,7 +30483,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Making all in detci +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) mcscf_input.F:75:59: 67 | if (.not. rtdb_put(rtdb, 'mcscf:thresh', mt_dbl, 1, conv)) @@ -30535,7 +30499,6 @@ 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)). -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf/detci' mcscf_orb.F:112:60: 104 | if (.not. rtdb_get(rtdb,'mcscf:tol2e',MT_DBL,1,tol2e)) then @@ -30544,14 +30507,8 @@ 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)). -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) +Making all in detci +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf/detci' mcscf_aux.F:337:58: 335 | if (.not. rtdb_get(rtdb, 'mcscf:tol2e', MT_DBL, 1, tol2e)) @@ -30625,12 +30582,12 @@ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling detci_aux.F... -Compiling detci_intf.F... -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf/detci' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling detci_intf.F... +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mcscf/detci' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -30694,28 +30651,28 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/prepar' Compiling prepar.F... Compiling pre_admin.F... -Compiling pre_align.F... -Compiling pre_ang.F... -Compiling pre_atmscn.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling pre_atnam.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_atnum.F... +Compiling pre_align.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_ang.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_atmscn.F... +Compiling pre_atnam.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling pre_atnum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -30724,27 +30681,37 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_atom_index.F... -Compiling pre_atrad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_atype.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling pre_atrad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_atype.F... +Compiling pre_base.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_base.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_bnd.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 +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -30758,40 +30725,36 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling pre_center.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_center.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_charge.F... -Compiling pre_check.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_check.F... Compiling pre_collaps.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_crop.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_dih.F... pre_charge.F:190:51: 131 | if(.not.rtdb_put(irtdb,'charge',mt_dbl,1,charge)) @@ -30800,14 +30763,8 @@ 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_crop.F... -Compiling pre_dih.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_dihimp.F... @@ -30818,11 +30775,11 @@ Compiling pre_dihsel.F... Compiling pre_dimens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_disres.F... @@ -30836,40 +30793,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_equiv.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_excl.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_ffield.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_fix.F... -Compiling pre_frgsiz.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_frgrd.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling pre_gensgm.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pre_collaps.F:278:72: 278 | xs(k,i)=xs(k,i)+root*tran(k) @@ -30900,66 +30823,81 @@ 45 | real*8 tr(3),tran(3),xmax(3),xmin(3) | ^ note: 'tran[2]' was declared here -Compiling pre_his.F... +Compiling pre_excl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_hnames.F... +Compiling pre_ffield.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling pre_hybrid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_fix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_imp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_input.F... +Compiling pre_frgsiz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_links.F... +Compiling pre_frgrd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_master.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_merge.F... +Compiling pre_gensgm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_his.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_misfit.F... +Compiling pre_hnames.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_mkfrg.F... +Compiling pre_hybrid.F... +Compiling pre_imp.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_input.F... +Compiling pre_links.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_mklist.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_master.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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_merge.F... pre_input.F:1239:72: 1239 | if(.not.inp_i(icolgrp)) call md_abort('pre_input collapse_group') @@ -31010,6 +30948,25 @@ 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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_misfit.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_mkfrg.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling pre_mklist.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_mknoe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -31035,6 +30992,11 @@ 14 | character*1 altloc,chain | ^ note: 'chain[1]{lb: 1 sz: 1}' was declared here +Compiling pre_mkrst.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pre_ffield.F:264:9: 264 | if(icomb.ne.jcomb) then @@ -31045,32 +31007,27 @@ 39 | integer i,j,length,nt,ng,latnum,mult,ifnd,nd,jcomb | ^ note: 'jcomb' was declared here -Compiling pre_mkrst.F... Compiling pre_mkseq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_mksgm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_mktop.F... -Compiling pre_modify.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_modify.F... +Compiling pre_multip.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_multip.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -31078,39 +31035,39 @@ Compiling pre_namiup.F... Compiling pre_natyps.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_nonbon.F... +Compiling pre_nucleic.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_nucleic.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_orient.F... +Compiling pre_params.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_params.F... -Compiling pre_parcnv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_paths.F... +Compiling pre_parcnv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_paths.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -31127,22 +31084,22 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_pdbsiz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling pre_protein.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_protein.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_rdgeom.F... +Compiling pre_rdpdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling pre_rstmod.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_rdpdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling pre_rstmod.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -31152,10 +31109,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_rdrst.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling pre_rdseq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_rdseq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -31186,17 +31143,18 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_rotate.F... +Compiling pre_rstsiz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_rstsiz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_rtdbin.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling pre_rtdbsq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -31240,12 +31198,11 @@ 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_select.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -31276,11 +31233,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_sgmsiz.F... +Compiling pre_short.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_short.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -31296,16 +31253,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_slvsiz.F... +Compiling pre_solvat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling pre_task.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_solvat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_task.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -31321,16 +31278,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_toprd.F... +Compiling pre_topsiz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_torang.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_topsiz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_torang.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -31346,21 +31303,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_wrtnoe.F... +Compiling pre_wrtpdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pre_wrtpdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pre_wrtpmf.F... -Compiling pre_wrtpov.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pre_wrtpov.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -31409,23 +31366,22 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling esp_denmat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling esp_elemom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling esp_esp.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -31433,6 +31389,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling esp_fastesp.F... Compiling esp_getden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -31448,11 +31405,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling esp_getx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling esp_getx.F... Compiling esp_grdcnt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -31463,20 +31420,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling esp_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling esp_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -31490,7 +31439,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling esp_out.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)). esp_input.F:441:53: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) @@ -31499,6 +31455,8 @@ 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) +Compiling esp_out.F... +Compiling esp_plt.F... esp_input.F:444:51: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) @@ -31515,31 +31473,24 @@ 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_plt.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling esp_rms.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling esp_rtdbin.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling esp_rms.F... +Compiling esp_rtdbin.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling esp_wrtinp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling esp_jacobi.F... esp_rtdbin.F:67:53: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 @@ -31564,6 +31515,12 @@ 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... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling esp_jacobi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -31580,17 +31537,25 @@ Making libraries in hessian make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian' Compiling hess_blas.F... +Compiling hess_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hess_input.F... Making all in analytic -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' +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)). hess_blas.F:161:31: 79 | $ g_vecs, 1, nbf, 1, nocc, @@ -31607,38 +31572,58 @@ 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) -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)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' Making all in dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' Compiling hess_anal.F... Compiling hess_init.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling hess_energyinit.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hess_check.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_d2expl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hess_check.F... +Compiling nucdd_cont.F... +Compiling nucdd_calc.F... +Compiling oned_calc.F... +Compiling onedd_cont.F... +make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling get_wdens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling onedd_calc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nucdd_cont.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] hess_energyinit.F:63:60: 32 | $ call errquit('hess_energyinit: theory not specified',555, @@ -31647,6 +31632,7 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hess_energyinit.F:112:9: 59 | if (rtdb_get(rtdb, 'hessian:thresh', MT_DBL,1, ithresh)) then @@ -31663,7 +31649,13 @@ 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 nucdd_calc.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hess_dipder.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -31684,21 +31676,6 @@ 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 oned_calc.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling onedd_cont.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling get_wdens.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hess_check.F:53:57: 37 | if (.not. rtdb_get(rtdb, 'dyall_mod_dir', MT_LOG, 1, dmd_rel)) @@ -31707,20 +31684,6 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling onedd_calc.F... -Compiling hess_dipder.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling twodd_cont.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -31732,17 +31695,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling shell_fock_build.F... -Compiling xc_d2expl.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling shell_fock_build_cam.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -31753,11 +31710,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hess_pxfy.F... -Compiling hess_sxsy.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -31778,24 +31730,16 @@ 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 sx_dra.F... +Compiling hess_sxsy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hess_wrt.F... +Compiling sx_dra.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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) hess_cphf.F:1212:61: 1209 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) @@ -31804,19 +31748,27 @@ 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)). +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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hess_hssout.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hess_hssout.F... Compiling hess_print.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling hess_tidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -31824,12 +31776,17 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hess_tidy.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling uhf_fock_setup.F... -Compiling uhf_fock_finish.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling uhf_fock_finish.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -31844,12 +31801,12 @@ Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). Compiling print_dens_bit.F... Compiling shell_fock_build_ext.F... +Compiling hess_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling hess_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -31857,26 +31814,25 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' Compiling xc_cpks_coeff.F... -Compiling xc_exit_index.F... -Compiling xc_init_index.F... -Compiling dft_3dacc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling xc_nucder_gen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling xc_exit_index.F... +Compiling xc_init_index.F... +Compiling xc_nucder_gen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dft_3dacc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -31893,6 +31849,7 @@ 53 | , g_dens, nactive, oactive, 0d0, g_rhs, 3) | 1 Warning: Rank mismatch in argument 'hess' at (1) (rank-1 and scalar) +make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/hessian/analytic/dft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libhessian.lock @@ -31921,42 +31878,61 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/selci' Compiling iprtri.F... Compiling prtri.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling selci_icopy.f... Compiling selci_yacobi.f... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tred1.f... Compiling tqlrat.f... Compiling loadw.F... +Compiling rdhint.F... +Compiling rdhcon.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rdhwmt.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rdhint.F... +Compiling rdconf.f... +Compiling upkcon.F... +Compiling prtcon.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rdhcon.f... +Compiling wrtcon.f... +Compiling iodiff.F... +Compiling bserch.F... +Compiling readh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rdhwmt.f... -Compiling rdconf.f... -Compiling upkcon.F... +Compiling selci_renorm.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling prtcon.f... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling selci_sread.f... tqlrat.f:145:72: 145 | h = g * p / r | ^ Warning: 'b' may be used uninitialized [-Wmaybe-uninitialized] +Compiling selci_swrite.f... tqlrat.f:49:24: 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag @@ -31972,25 +31948,6 @@ 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'c' was declared here -Compiling wrtcon.f... -Compiling iodiff.F... -Compiling bserch.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling readh.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling selci_renorm.f... -Compiling selci_sread.f... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling selci_swrite.f... Compiling pkcon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -32004,16 +31961,15 @@ Compiling rd1.F... Compiling fcidim.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling axb.f... -Compiling axbt.f... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gettim.f... +Compiling axbt.f... rd1.F:272:23: 189 | call ifill(nuw,0,u,1) @@ -32072,42 +32028,40 @@ 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 gettim.f... Compiling cputm.c... Compiling minit.F... Compiling mxmb.f... -Compiling selci_check.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling selci_check.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling davids.F... -Compiling sigma.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling sigma.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling conf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ci.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ci.F... -Compiling initci.F... -Compiling rdhead.F... -Compiling load.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling initci.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] davids.F:185:26: 167 | call ga_brdcst(101, ci(1,1,nvec), mdtob(nroot*nci), 0) @@ -32116,8 +32070,6 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] davids.F:101:72: 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) @@ -32128,21 +32080,17 @@ 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'ioconf' at (1); passed REAL(8) to INTEGER(8) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling loada.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rdhead.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] 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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling load.F... conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) @@ -32181,23 +32129,32 @@ 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 loada.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mkinta.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pconls.F... -Compiling makeh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling makeh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mkindb.f... -Compiling eij.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eij.F... Compiling eijeji.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -32213,23 +32170,23 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling loadg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling loadg.F... +Compiling getij.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling makehs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling getij.F... +Compiling eirerj.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling makehs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling eirerj.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -32238,47 +32195,47 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling loadab.F... -Compiling couple.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling couple.c... Compiling gtijkl.F... -Compiling eijkj.F... -Compiling makhdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eijkj.F... +Compiling makhdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eijil.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling mknsneed.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eijil.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mknsneed.F... -Compiling eijkl.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling eijkl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling putinb.F... +Compiling inicij.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling inicij.F... Compiling ointer.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -32292,52 +32249,10 @@ Compiling selci_select.F... Compiling selci.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ptidy.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling anal.F... -Compiling mkindx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -32346,23 +32261,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 slect.F... +Compiling anal.F... +Compiling mkindx.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -32399,57 +32299,99 @@ 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 tester.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +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 slect.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mkdele.F... -Compiling mkvc.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tester.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling e0mp2.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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mpdele.F... +Compiling mkdele.F... +Compiling mkvc.F... +Compiling e0mp2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling stool.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling restk.F... -Compiling restin.F... -Compiling orbanal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mpdele.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling selci_hpp.F... +Compiling stool.F... +Compiling restk.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mxma.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling restin.F... stool.F:74:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) @@ -32482,6 +32424,21 @@ 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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling orbanal.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling selci_hpp.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mxma.f... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/selci' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/selci' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libselci.lock @@ -32495,49 +32452,63 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dplot' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dplot' Compiling dplot.F... -Compiling get_grid.F... -Compiling create_contour.F... -Compiling dmat.F... -Compiling errmem.F... -Compiling get_dens.F... -Compiling dplot_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling get_grid.F... +Compiling create_contour.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dmat.F... +Compiling errmem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling get_dens.F... +Compiling dplot_input.F... +Compiling get_charges.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dplot_defgrid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling dplot_dump.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling get_charges.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dplot_dos.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ao_rdm_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dplot_defgrid.F... -Compiling dplot_dump.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dplot_input.F:299:58: @@ -32548,30 +32519,11 @@ 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 dplot_dos.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ao_rdm_read.F... Compiling get_transden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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)). -Compiling get_diffden.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -32580,6 +32532,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling get_diffden.F... get_transden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) @@ -32587,6 +32540,10 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] get_transden.F:107:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) @@ -32627,11 +32584,6 @@ 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) -ao_rdm_read.F:123:72: - - 123 | return - | ^ -Warning: '__result_ao_rdm_read' may be used uninitialized [-Wmaybe-uninitialized] dplot_dos.F:86:11: 84 | & 1,nstep)) nstep=1000 @@ -32640,6 +32592,11 @@ 86 | & 1,sigma)) sigma=0.025d0 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). +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) @@ -32715,68 +32672,84 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mp2_grad' Compiling mp2_grad.F... Compiling mp2_energy.F... -Compiling mp2_grad_doit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mp2_make_cphf_rhs.F... +Compiling mp2_grad_doit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling mp2_make_cphf_rhs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling mp2_make_tot_dens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mp2_make_tot_wdens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mp2_make_tot_dens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mp2_make_tot_wdens.F... Compiling mp2_make_dip_mom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mp2_pstat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling mp2_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -mp2_grad_doit.F:179:51: +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +mp2_grad.F:44:54: - 143 | if(rtdb_get(rtdb,'mp2:scratchdisk',mt_dbl,1,avail_file)) then - | 2 + 37 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) + | 2 ...... - 179 | if(.not.rtdb_get(rtdb,'mp2:npasses',mt_int,1,npass_first)) - | 1 -Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). -Compiling mp2_pstat.F... -Compiling mp2_input.F... -Compiling mp2_make_nos.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] + 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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mp2_make_piy.F... -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mp2_grad' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling mp2_make_piy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling mp2_make_nos.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mp2_grad' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). +mp2_grad_doit.F:179:51: + + 143 | if(rtdb_get(rtdb,'mp2:scratchdisk',mt_dbl,1,avail_file)) then + | 2 +...... + 179 | if(.not.rtdb_get(rtdb,'mp2:npasses',mt_int,1,npass_first)) + | 1 +Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). mp2_energy.F:153:11: 96 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) @@ -32801,29 +32774,11 @@ 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)). -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)). -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_back_transform.F... Compiling mp2_read_tiajb.F... Compiling mp2_pijab_uhf.F... -Compiling mp2_lai_uhf.F... -Compiling mp2_wijab_uhf.F... -Compiling mp2_lai_fock_uhf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling mp2_wijab_uhf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -32831,36 +32786,42 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mp2_lai_uhf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mp2_lai_fock_uhf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mp2_memory.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling mp2_memory.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mp2_make_tuhf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mp2_make_tuhf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -mp2_lai_uhf.F:84:55: +mp2_wijab_uhf.F:102:55: - 81 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) + 99 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... - 84 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) + 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] mp2_pijab_uhf.F:109:55: 106 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) @@ -32869,16 +32830,12 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -mp2_wijab_uhf.F:102:55: +mp2_lai_uhf.F:84:55: - 99 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) + 81 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) | 2 ...... - 102 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) + 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)). mp2_memory.F:242:24: @@ -32910,32 +32867,42 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qhop' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/qhop' Compiling qhop_setup.F... -Compiling qhop_asite.F... -Compiling qhop_dsite.F... -Compiling qhop_prob.F... -Compiling qhop_init.F... -Compiling qhop_pindex.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qhop_asite.F... +Compiling qhop_dsite.F... +Compiling qhop_prob.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qhop_final.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_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qhop_pindex.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qhop_final.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -32944,16 +32911,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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) qhop_init.F:185:35-44: 185 | read(lfntop,1005) (zpef(ipar,i),i=1,6) @@ -32986,24 +32943,22 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/property' Compiling hnd_efgmap.F... Compiling hnd_efgmap_z4.F... -Compiling hnd_elfmap.F... -Compiling hnd_elpmap.F... -Compiling hnd_eldmap.F... -Compiling hnd_elpiso.F... -Compiling hnd_spind.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling hnd_elfcon.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_elfmap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling hnd_elpmap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling hnd_eldmap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_elpiso.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -33012,54 +32967,49 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling hnd_spind.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_elfcon.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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_elfcon_symm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_elfcon_symm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_mtpcon.F... -Compiling hnd_mtpole.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling prop_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_mtpole.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling prop_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_elfmap.F:140:35: 57 | if(.not.rtdb_get(rtdb,'bqforceprint',mt_log,1,bqprint)) @@ -33068,6 +33018,9 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hnd_elfmap.F:275:44: 274 | call ecce_print1('EField components',MT_DBL,elf,3) @@ -33075,14 +33028,10 @@ 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) -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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hnd_spind.F:214:59: 136 | call ecce_print1('fermi contact',MT_DBL,aiso,1) @@ -33091,6 +33040,14 @@ 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) +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)). prop_input.F:886:43: 868 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) @@ -33121,11 +33078,43 @@ | 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_mulken.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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling wnbofile.F... +hnd_mtpole.F:938:72: + + 938 | do i = 1, ndens + | ^ +Warning: 'ndens' is used uninitialized [-Wuninitialized] +Compiling wefgfile.F... +hnd_mtpole.F:783:29: + + 783 | integer g_dens(3),ndens,nclosed(2),nopen(2),nvirt(2) + | ^ +note: 'ndens' was declared here +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hnd_efgmap_z4.F:941:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) @@ -33166,54 +33155,22 @@ 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_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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 wnbofile.F... -Compiling wefgfile.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling whypfile.F... -Compiling wgshiftfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling wgshiftfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wshldfile.F... +Compiling hnd_prp_get_dens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_prp_get_dens.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -33224,8 +33181,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_prop_dens_make.F... -Compiling hnd_property.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling hnd_property.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -33234,17 +33191,17 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling giaofock.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -wshldfile.F:296:72: +wgshiftfile.F:316:72: - 296 | open (lfn, file=fname_shield, status='unknown') + 316 | open (lfn, file=fname_gshift, status='unknown') | ^ Warning: 'lfn' may be used uninitialized [-Wmaybe-uninitialized] -wshldfile.F:73:17: +wgshiftfile.F:85:17: - 73 | integer lfn + 85 | integer lfn | ^ note: 'lfn' was declared here +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -33264,16 +33221,6 @@ 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)). -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 hnd_giaox.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -33294,11 +33241,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_gshift_zora.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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 hnd_giaox.F:287:64: 284 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) @@ -33315,6 +33267,11 @@ 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_gshift_zora.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling hnd_giaox_zora.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -33325,6 +33282,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling giao_aotomo.F... giaofock.F:930:72: 930 | g_dens=g_dens0 @@ -33335,17 +33293,6 @@ 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here -Compiling giao_aotomo.F... -Compiling hnd_diag.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_spinspin.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -33370,21 +33317,18 @@ 45 | integer nblocks | ^ note: 'nblocks' was declared here -Compiling hnd_sdfc.F... +Compiling hnd_diag.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_psoten.F... +Compiling hnd_spinspin.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_sdfc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -33412,6 +33356,20 @@ 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 hnd_psoten.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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_dsoten.F... giaofock.F:930:72: 930 | g_dens=g_dens0 @@ -33422,11 +33380,34 @@ 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here -Compiling hnd_dsoten.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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) Compiling prop_atom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -33458,11 +33439,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling aoresponse_driver_new.F... -Compiling int_mpole_1ega.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling int_mpole_1ega.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -33483,6 +33464,24 @@ 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.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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling aoresponse_beta.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] giaofock.F:503:72: 503 | cam_beta1 =factor_cam*cam_beta @@ -33503,36 +33502,9 @@ 366 | integer npol,ntot | ^ note: 'ntot' was declared here -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 aoresponse.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling aoresponse_beta.F... Compiling aor_write_roadata.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling aoresponse_beta2.F... -Compiling fiao_f1_movecs.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -33544,6 +33516,12 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling fiao_f1_movecs.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] aoresponse_beta.F:568:58: 560 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call @@ -33552,16 +33530,6 @@ 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_r1_tensor.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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -33573,55 +33541,15 @@ 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)). -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: +fiao_f1_movecs.F:333:56: - 230 | & MT_INT, 1, nocc(1)-nocc(2))) - | 2 + 290 | & mt_int, 1,index4cphf)) call + | 2 ...... - 324 | if (.not. rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call - | 1 + 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)). -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) -Compiling aor_r1_tensor_giao.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling aor_r1_beta.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -aor_r1_tensor.F:391:72: - - 391 | & 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_beta_anl.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling aor_r1_tensor.F... hnd_gshift_zora.F:2750:57: 2744 | & mt_log,1,skip_csAOev)) @@ -33630,6 +33558,7 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] hnd_gshift_zora.F:4308:19: 3123 | & vectors, ! in: MOs @@ -33662,6 +33591,9 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] hnd_gshift_zora.F:1141:59: 1139 | call ecce_print1('g-shifts isotropic',MT_DBL,isotr,1) @@ -33670,24 +33602,21 @@ 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) -Compiling giao_b1_movecs.F... +Compiling aor_r1_tensor_giao.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -giao_b1_movecs.F:355:26: +aor_r1_tensor.F:391:72: - 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... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] + 391 | & 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 hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then @@ -33708,14 +33637,6 @@ 49 | double precision val1,coeffpol,ac_occ(2),small,trace, | ^ note: 'ac_occ' declared here -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)). hnd_hyperfine_zora.F:569:43: 569 | & skew*conv2MHz, @@ -33726,6 +33647,42 @@ 37 | double precision a(6),axs(3,3),eig(3),conv2MHz | ^ note: 'conv2mhz' was declared here +Compiling aor_r1_beta.F... +Compiling aor_r1_beta_anl.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling giao_b1_movecs.F... +Compiling fiao_b1_movecs.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). +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 get_vecB1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -33737,10 +33694,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling aor_get_fiaoints.F... +Compiling aor_get_giaoints.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling aor_get_giaoints.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -33752,15 +33709,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling get_alfaorbeta_reim.F... -Compiling CalcPerturbedTDPmat1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling CalcPerturbedTDPmat1.F... aor_get_giaoints.F:269:61: 264 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) @@ -33769,11 +33722,11 @@ 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 CalcPerturbedTDPmat1_opt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling CalcPerturbedTDPmat1_opt.F... aoresponse_giao_rhs.F:294:64: 291 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) @@ -33782,7 +33735,52 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling localization_driver.F... +Compiling ibo_localization.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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 pm_localization.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_vec_write.F... +Compiling giao_b1_movecs_tools.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling aor_r1_beta_anl_tools.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -33807,28 +33805,32 @@ 367 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here -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... +Compiling task_raman.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pm_localization.F... +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] +Compiling raman_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -33853,36 +33855,6 @@ 206 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here -Compiling hnd_vec_write.F... -Compiling giao_b1_movecs_tools.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task_raman.F... -Compiling aor_r1_beta_anl_tools.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling raman_input.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling raman.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] raman_input.F:93:58: 71 | if (.not.rtdb_put(rtdb, 'prop:newaoresp', mt_int, 1,1)) @@ -33891,32 +33863,6 @@ 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 waimfile.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_eldmap_grid.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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)). -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)). ibo_localization.F:633:9: 633 | if(noff+n1 > nbf) call errquit (pname// @@ -33947,6 +33893,29 @@ 66 | integer n1, n2, nsing, noff | ^ note: 'n2' declared here +Compiling raman.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling waimfile.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_eldmap_grid.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). hnd_eldmap_grid.F:111:35: 94 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) @@ -33955,6 +33924,39 @@ 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... +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 +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). +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 task_raman.F:525:51: 487 | & rmmodes*4, rminfo(1,1))) @@ -33971,11 +33973,6 @@ 1268 | $ gamwidth_in)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). -Compiling prop_moldenfile.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling prop_grid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -34010,46 +34007,6 @@ 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)). -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: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 make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/property' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/property' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libproperty.lock @@ -34063,33 +34020,41 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/solvation' Compiling mnsol_mem.F... Compiling mnsol_interface.F... -Compiling mnsol.F... -Compiling solv_data.F... -Compiling cosmo_smd_output.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cosmo_vem_output.F... -Compiling cosmo_lebedev.F... -Compiling cosmo_fibonacci.F... +Compiling mnsol.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling solv_data.F... +Compiling cosmo_smd_output.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cosmo_vem_output.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cosmo_lebedev.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +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 cosmo_fibonacci.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -34102,14 +34067,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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) mnsol.F:158:72: 158 | $X(LDCTETR),X(LDSTETR),X(LDCOSNR)) @@ -34171,46 +34128,54 @@ | 1 Warning: Rank mismatch in argument 'x' at (1) (rank-1 and scalar) Compiling cosmo_input.F... -Compiling cosmo_initialize.F... -Compiling cosmo_tidy.F... -Compiling cosmo_def_radii.F... -Compiling cosmo_charges.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling cosmo_initialize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling grad_hnd_cos.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cosmo_tidy.F... +Compiling cosmo_def_radii.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cosmo_charges.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling grad_hnd_cos.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hnd_cosmo_lib.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_cosmo_lib.F... +Compiling hnd_coschg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hnd_coschg.F... +Compiling cosmo_thomson.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cosmo_thomson.F... cosmo_def_radii.F:271:52: 265 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) @@ -34219,26 +34184,10 @@ 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)). -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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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)). cosmo_initialize.F:165:34: 163 | call ga_brdcst(msg_cosmo0,nmap, @@ -34279,6 +34228,14 @@ 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)). +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)). hnd_coschg.F:619:43: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) @@ -34398,19 +34355,19 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw' USE_OPENMP undefined USE_OPENMP undefined -Compiling nwpw_default.F... Compiling nwpw_input.F... -Compiling nwpw_vectors_input.F... -Making all in nwpwlib -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpw_default.F... +Compiling nwpw_vectors_input.F... +Making all in nwpwlib f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -34790,27 +34747,24 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D1dB' Compiling D1dB.F... -Compiling Dne.F... -Compiling Dnex.F... -Compiling skew.F... -Compiling Dne_omp.F... -Compiling D1dB-mpi.F... -Compiling D1dBs-mpi.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling Dne.F... +Compiling Dnex.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling skew.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling Dne_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling D1dB-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -34818,12 +34772,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling D1dBs-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Dne_omp.F:595:19: 428 | > A(shift2), n, @@ -34840,14 +34794,9 @@ 598 | > Aout(shift+mstart),2*npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). -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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] D1dB-mpi.F:86:27: 38 | call MPI_Allreduce(sum,sumall,stupid_msglen,stupid_double, @@ -34888,6 +34837,14 @@ 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) +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) Dne.F:3216:22: 1027 | > Ain(shift), 2*npack1, @@ -35095,47 +35052,47 @@ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/D3dB' Compiling D3dB-new.F... Compiling D3dBs-new.F... -Compiling generate_map_indexes.F... -Compiling hilbert.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling hcurve.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling generate_map_indexes.F... +Compiling hilbert.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling hcurve.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling olist.c... Compiling trans.F... +Compiling D3dB_pfft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling D3dB_pfft.F... +Compiling D3dBs_pfft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling D3dBs_pfft.F... +hilbert.c: In function 'hilbert2d': +Compiling D3dB-mpi.F... +hilbert.c:137:15: warning: variable 'direction' set but not used [-Wunused-but-set-variable] + 137 | int start,direction; + | ^~~~~~~~~ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling D3dB-mpi.F... Compiling D3dBs-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -hilbert.c: In function 'hilbert2d': -hilbert.c:137:15: warning: variable 'direction' set but not used [-Wunused-but-set-variable] - 137 | int start,direction; - | ^~~~~~~~~ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -35233,6 +35190,92 @@ 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)). +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)). D3dBs_pfft.F:972:24: 972 | call srfftf(nx,A(1,i),tmpx) @@ -35369,92 +35412,6 @@ 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-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)). D3dBs-mpi.F:663:24: 90 | > tmp1(int_mb(i1_start(1,nb)+1-1)), @@ -35932,11 +35889,11 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C1dB' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C1dB' Compiling C1dB.F... -Compiling C1dB-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling C1dB-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -35994,16 +35951,16 @@ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/C3dB' Compiling C3dB-new.F... Compiling c_trans.F... -Compiling C3dB_pfft.F... -Compiling C3dB-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling C3dB_pfft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling C3dB-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -36172,11 +36129,11 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/DMatrix' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/DMatrix' Compiling DMatrix.F... -Compiling DMatrix-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling DMatrix-mpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -36385,16 +36342,11 @@ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zgemm_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling daxpy_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -36403,24 +36355,29 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling saxpy_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dscal_omp.F... +Compiling zscal_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ffm_multiply_omp_group.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling zgemm_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sgemm_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling sgemm_omp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -36447,18 +36404,6 @@ Compiling control.F... Compiling psi_get_ne.F... Compiling psi_get_version.F... -Compiling psi_get_header.F... -Compiling cpsi_get_header.F... -Compiling rho_check_header.F... -Compiling get_psp_type.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -36467,10 +36412,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling psi_get_header.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cpsi_get_header.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -36479,6 +36426,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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) +Compiling rho_check_header.F... cpsi_get_header.F:45:22: 44 | call iread(4,version,1) @@ -36510,91 +36465,6 @@ 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) -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) -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) -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) @@ -36715,6 +36585,93 @@ 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) +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) +Compiling get_psp_type.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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) control.F:4968:26: 4968 | > dbl_mb(kvs(1))) @@ -36865,46 +36822,16 @@ Compiling lattice.f... Compiling mask_init.F... Compiling pack.F... -Compiling cloak.F... -Compiling cram.F... -Compiling balance.F... -Compiling c_balance.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling G_init.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling c_G_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cloak.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling strfac.F... -Compiling cstrfac.F... +Compiling cram.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -36913,6 +36840,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling balance.F... +Compiling c_balance.F... lattice.f:1160:19: 1029 | call ycopy(9,unitg,1,ub,1) @@ -36921,6 +36850,11 @@ 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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling G_init.F... lattice.f:1165:26: 1029 | call ycopy(9,unitg,1,ub,1) @@ -36953,6 +36887,29 @@ 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 c_G_init.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling strfac.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cstrfac.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] c_balance.F:457:24: 390 | > A(indx), @@ -37115,32 +37072,32 @@ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion/shake' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/ion/shake' Compiling center.f... -Compiling incell1.f... Compiling ion_FixIon.F... +Compiling incell1.f... Compiling incell2.f... -Compiling unfold.f... Compiling incell3.f... -Compiling xyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling katm_list.F... -Compiling fcoord.f... +Compiling unfold.f... +Compiling xyz.F... Compiling ion.F... +Compiling katm_list.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling seperate_molpsp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling fcoord.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling seperate_molpsp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -37347,18 +37304,18 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling molecular.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling molecular.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -37398,8 +37355,8 @@ Compiling hgh_parse.c... Compiling cpi_parse.c... Compiling teter_parse.c... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling carter_parse.c... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -37407,41 +37364,12 @@ Compiling get_word.c... Compiling name.c... Compiling loggrid.c... -hgh_parse.c: In function 'hgh_parse_': -hgh_parse.c:85:14: warning: unused variable 'words' [-Wunused-variable] - 85 | char words[20][80]; - | ^~~~~ -hgh_parse.c:84:19: warning: unused variable 'value' [-Wunused-variable] - 84 | int argc,value; - | ^~~~~ -hgh_parse.c:84:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] - 84 | int argc,value; - | ^~~~ -hgh_parse.c:83:14: warning: unused variable 'line' [-Wunused-variable] - 83 | char line[255]; - | ^~~~ -hgh_parse.c:66:14: warning: unused variable 'nmax_l' [-Wunused-variable] - 66 | int nmax_l[4]; - | ^~~~~~ -hgh_parse.c:63:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] - 63 | double rlocal_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:62:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] - 62 | int lmax_out,locp_out; - | ^~~~~~~~ Compiling pred_cor.c... -Compiling spline.c... -cpi_parse.c: In function 'cpi_parse_': -cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] - 99 | int argc,value; - | ^~~~ carter_parse.c: In function 'carter_parse_': carter_parse.c:97:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 97 | int argc; | ^~~~ +Compiling spline.c... carter_parse.c:89:35: warning: unused variable 'e999' [-Wunused-variable] 89 | double r2well,rcore[10],e99,e999; | ^~~~ @@ -37499,7 +37427,50 @@ carter_parse.c:74:12: warning: variable 'over_fourpi' set but not used [-Wunused-but-set-variable] 74 | double over_fourpi; | ^~~~~~~~~~~ +hgh_parse.c: In function 'hgh_parse_': +hgh_parse.c:85:14: warning: unused variable 'words' [-Wunused-variable] + 85 | char words[20][80]; + | ^~~~~ +hgh_parse.c:84:19: warning: unused variable 'value' [-Wunused-variable] + 84 | int argc,value; + | ^~~~~ +hgh_parse.c:84:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] + 84 | int argc,value; + | ^~~~ +hgh_parse.c:83:14: warning: unused variable 'line' [-Wunused-variable] + 83 | char line[255]; + | ^~~~ +hgh_parse.c:66:14: warning: unused variable 'nmax_l' [-Wunused-variable] + 66 | int nmax_l[4]; + | ^~~~~~ +hgh_parse.c:63:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] + 63 | double rlocal_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:62:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] + 62 | int lmax_out,locp_out; + | ^~~~~~~~ +qmmm_parse.c: In function 'qmmm_parse_': +qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] + 93 | int argc; + | ^~~~ +qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] + 86 | double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; + | ^~~~~~~ +cpi_parse.c: In function 'cpi_parse_': +cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] + 99 | int argc,value; + | ^~~~ +Compiling grids.c... teter_parse.c: In function 'teter_parse_': +teter_parse.c:101:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] + 101 | int argc; + | ^~~~ +teter_parse.c:90:14: warning: variable 'r0' set but not used [-Wunused-but-set-variable] + 90 | double r0,xx; + | ^~ In file included from pspsolve.c:19: rpspsolve.c: In function 'rpspsolve_': rpspsolve.c:84:9: warning: unused variable 'soutfile' [-Wunused-variable] @@ -37514,27 +37485,6 @@ rpspsolve.c:66:7: warning: unused variable 'i' [-Wunused-variable] 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ -teter_parse.c:101:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] - 101 | int argc; - | ^~~~ -teter_parse.c:90:14: warning: variable 'r0' set but not used [-Wunused-but-set-variable] - 90 | double r0,xx; - | ^~ -qmmm_parse.c: In function 'qmmm_parse_': -qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] - 93 | int argc; - | ^~~~ -qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] - 86 | double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; - | ^~~~~~~ -get_word.c: In function 'get_line': -get_word.c:33:8: warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] - 33 | if (c=='\n') - | ^ -get_word.c:28:11: note: 'c' was declared here - 28 | int c,i; - | ^ -Compiling grids.c... grids.c: In function 'dealloc_Grid': grids.c:142:42: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 142 | printf(" address: %lx\n", grid); @@ -37548,10 +37498,34 @@ | | | | | double * | long unsigned int +get_word.c: In function 'get_line': +get_word.c:33:8: warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] + 33 | if (c=='\n') + | ^ +get_word.c:28:11: note: 'c' was declared here + 28 | int c,i; + | ^ Compiling atom.c... +atom.c: In function 'solve_Atom': +atom.c:314:22: warning: unused variable 'sz' [-Wunused-variable] + 314 | int it, converged, sz; + | ^~ +atom.c: In function 'solve_Scattering_State_Atom': +atom.c:546:7: warning: unused variable 'st' [-Wunused-variable] + 546 | int st; + | ^~ +atom.c: In function 'print_Atom': +atom.c:640:10: warning: unused variable 'st' [-Wunused-variable] + 640 | int i, st; + | ^~ Compiling schrodin.c... Compiling pauli.c... Compiling dirac.c... +pauli.c: In function 'R_Pauli_Fixed_E': +pauli.c:365:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] + 365 | node, + | ^~~~ +Compiling zora.c... dirac.c: In function 'R_Dirac': dirac.c:43:9: warning: unused variable 'L0' [-Wunused-variable] 43 | L2, L0, @@ -37560,6 +37534,7 @@ 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; | ^~ +Compiling dft.c... dirac.c: In function 'R_Dirac_FixedLogDeriv': dirac.c:459:13: warning: unused variable 'scale' [-Wunused-variable] 459 | sum, a, scale, m1scale, @@ -37573,25 +37548,6 @@ dirac.c:449:32: warning: unused variable 'Ninf' [-Wunused-variable] 449 | int i, j, iteration, node, Ninf, Ngrid; | ^~~~ -pauli.c: In function 'R_Pauli_Fixed_E': -atom.c: In function 'solve_Atom': -pauli.c:365:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] - 365 | node, - | ^~~~ -atom.c:314:22: warning: unused variable 'sz' [-Wunused-variable] - 314 | int it, converged, sz; - | ^~ -atom.c: In function 'solve_Scattering_State_Atom': -atom.c:546:7: warning: unused variable 'st' [-Wunused-variable] - 546 | int st; - | ^~ -atom.c: In function 'print_Atom': -atom.c:640:10: warning: unused variable 'st' [-Wunused-variable] - 640 | int i, st; - | ^~ -Compiling zora.c... -Compiling dft.c... -Compiling hartree.c... zora.c: In function 'R_ZORA': zora.c:45:9: warning: unused variable 'L0' [-Wunused-variable] 45 | L2, L0, @@ -37604,39 +37560,29 @@ dft.c:140:13: warning: variable 'n0' set but not used [-Wunused-but-set-variable] 140 | int k,NN,n0,n1=0; | ^~ +Compiling hartree.c... Compiling dirac_exchange.c... +Compiling perdew_wang.c... +perdew_wang.c: In function 'R_Perdew_Wang': +perdew_wang.c:46:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] + 46 | double sevensixth; + | ^~~~~~~~~~ +perdew_wang.c:45:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] + 45 | double onesixth; + | ^~~~~~~~ dft.c:162:22: warning: 'r0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ dft.c:141:11: note: 'r0' was declared here 141 | double r0,r1=0.0,v0,v1=0.0,m,b; | ^~ +Compiling perdew_zunger.c... dft.c:162:14: warning: 'v0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ dft.c:141:21: note: 'v0' was declared here 141 | double r0,r1=0.0,v0,v1=0.0,m,b; | ^~ -Compiling perdew_wang.c... -Compiling perdew_zunger.c... -Compiling vosko.c... -perdew_wang.c: In function 'R_Perdew_Wang': -perdew_wang.c:46:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] - 46 | double sevensixth; - | ^~~~~~~~~~ -perdew_wang.c:45:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] - 45 | double onesixth; - | ^~~~~~~~ -vosko.c: In function 'R_Vosko': -vosko.c:86:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] - 86 | double two_to_onethird; - | ^~~~~~~~~~~~~~~ -vosko.c:85:40: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] - 85 | double onesixth,onethird,fourthird,twothird; - | ^~~~~~~~ -vosko.c:85:30: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] - 85 | double onesixth,onethird,fourthird,twothird; - | ^~~~~~~~~ perdew_zunger.c: In function 'R_Perdew_Zunger': perdew_zunger.c:56:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 56 | double two_to_onethird; @@ -37647,7 +37593,18 @@ perdew_zunger.c:55:21: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~~ +Compiling vosko.c... Compiling pbe_exchange.c... +vosko.c: In function 'R_Vosko': +vosko.c:86:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] + 86 | double two_to_onethird; + | ^~~~~~~~~~~~~~~ +vosko.c:85:40: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] + 85 | double onesixth,onethird,fourthird,twothird; + | ^~~~~~~~ +vosko.c:85:30: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] + 85 | double onesixth,onethird,fourthird,twothird; + | ^~~~~~~~~ pbe_exchange.c: In function 'R_PBE96_Exchange': pbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; @@ -37655,17 +37612,6 @@ Compiling pbe_correlation.c... Compiling revpbe_exchange.c... Compiling revpbe_correlation.c... -revpbe_exchange.c: In function 'R_revPBE_Exchange': -revpbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] - 41 | double onethird,fourthird,twothird; - | ^~~~~~~~ -schrodin.c: In function 'R_Schrodinger': -schrodin.c:249:5: warning: 'de' may be used uninitialized [-Wmaybe-uninitialized] - 249 | printf("R_Schrodinger: More than %d iterations, Eig=%le, de=%le\n",Max_Iterations,E,de); - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -schrodin.c:46:16: note: 'de' was declared here - 46 | double E, de, - | ^~ pbe_correlation.c: In function 'R_PBE96_Correlation': pbe_correlation.c:50:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 50 | double sevensixth; @@ -37673,6 +37619,10 @@ pbe_correlation.c:49:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 49 | double onesixth; | ^~~~~~~~ +revpbe_exchange.c: In function 'R_revPBE_Exchange': +revpbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] + 41 | double onethird,fourthird,twothird; + | ^~~~~~~~ revpbe_correlation.c: In function 'R_revPBE_Correlation': revpbe_correlation.c:52:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 52 | double sevensixth; @@ -37716,6 +37666,11 @@ becke_exchange.c:35:12: warning: unused variable 'norm' [-Wunused-variable] 35 | double norm; | ^~~~ +Compiling hamann.c... +pspsolve.c: In function 'pspsolve_': +pspsolve.c:77:42: warning: 'psil_extra' may be used uninitialized [-Wmaybe-uninitialized] + 77 | double *rl, *rhol, **psil_ae,**psil, **psil_extra, **pspl; + | ^~~~~~~~~~ lyp_correlation.c: In function 'R_LYP_Correlation': lyp_correlation.c:37:12: warning: unused variable 'norm' [-Wunused-variable] 37 | double norm; @@ -37723,7 +37678,6 @@ lyp_correlation.c:27:12: warning: variable 'smallnumber' set but not used [-Wunused-but-set-variable] 27 | double smallnumber; | ^~~~~~~~~~~ -Compiling hamann.c... Compiling troullier.c... Compiling xpansion.c... troullier.c: In function 'solve_Troullier': @@ -37732,16 +37686,31 @@ | ^~~~~ Compiling gaussj.c... Compiling vanderbilt.c... -pspsolve.c: In function 'pspsolve_': -pspsolve.c:77:42: warning: 'psil_extra' may be used uninitialized [-Wmaybe-uninitialized] - 77 | double *rl, *rhol, **psil_ae,**psil, **psil_extra, **pspl; - | ^~~~~~~~~~ -Compiling xpansion2.c... vanderbilt.c: In function 'solve_Vanderbilt': vanderbilt.c:209:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 209 | double al,amesh,Zion; | ^~~~~ -Compiling psp1d.c... +schrodin.c: In function 'R_Schrodinger': +schrodin.c:249:5: warning: 'de' may be used uninitialized [-Wmaybe-uninitialized] + 249 | printf("R_Schrodinger: More than %d iterations, Eig=%le, de=%le\n",Max_Iterations,E,de); + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +schrodin.c:46:16: note: 'de' was declared here + 46 | double E, de, + | ^~ +gaussj.c: In function 'gaussj': +gaussj.c:62:12: warning: 'icol' may be used uninitialized [-Wmaybe-uninitialized] + 62 | if (irow != icol) + | ^ +gaussj.c:27:9: note: 'icol' was declared here + 27 | int icol,irow; + | ^~~~ +gaussj.c:62:12: warning: 'irow' may be used uninitialized [-Wmaybe-uninitialized] + 62 | if (irow != icol) + | ^ +gaussj.c:27:14: note: 'irow' was declared here + 27 | int icol,irow; + | ^~~~ +Compiling xpansion2.c... xpansion2.c: In function 'dp_xpansion2': xpansion2.c:61:30: warning: variable 'r11' set but not used [-Wunused-but-set-variable] 61 | double r1,r2,r3,r5,r7,r9,r11; @@ -37758,21 +37727,6 @@ xpansion2.c:139:24: warning: variable 'r8' set but not used [-Wunused-but-set-variable] 139 | double r1,r2,r4,r6,r8; | ^~ -Compiling generate_rho_semicore.c... -gaussj.c: In function 'gaussj': -gaussj.c:62:12: warning: 'icol' may be used uninitialized [-Wmaybe-uninitialized] - 62 | if (irow != icol) - | ^ -gaussj.c:27:9: note: 'icol' was declared here - 27 | int icol,irow; - | ^~~~ -gaussj.c:62:12: warning: 'irow' may be used uninitialized [-Wmaybe-uninitialized] - 62 | if (irow != icol) - | ^ -gaussj.c:27:14: note: 'irow' was declared here - 27 | int icol,irow; - | ^~~~ -Compiling debug.c... hamann.c: In function 'solve_Hamann': hamann.c:455:5: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] 455 | R_Screening_Cut(Vc); @@ -37780,18 +37734,36 @@ hamann.c:209:23: note: 'w1l_prime' was declared here 209 | double *w1l,*w1l_prime, | ^~~~~~~~~ +Compiling psp1d.c... +Compiling generate_rho_semicore.c... +Compiling debug.c... Compiling rhamann.c... +rhamann.c: In function 'Suggested_Param_RelHamann': +rhamann.c:50:17: warning: unused variable 'itmp' [-Wunused-variable] + 50 | int p, npsps, itmp; + | ^~~~ +xpansion.c: In function 'get_c0_c10': +xpansion.c:341:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] + 341 | ddelta = -fdnew*ddelta/(fdnew-fdold); + | ~~~~~~^~~~~~~ +xpansion.c:281:12: note: 'ddelta' was declared here + 281 | double ddelta; + | ^~~~~~ Compiling rtroullier.c... +xpansion.c: In function 'get_c0_c12': +xpansion.c:434:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] + 434 | ddelta = -fdnew*ddelta/(fdnew-fdold); + | ~~~~~~^~~~~~~ +xpansion.c:376:12: note: 'ddelta' was declared here + 376 | double ddelta; + | ^~~~~~ rtroullier.c: In function 'solve_RelTroullier': rtroullier.c:173:14: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 173 | double al, amesh, rmax, Zion; | ^~~~~ Compiling rpsp.c... -rhamann.c: In function 'Suggested_Param_RelHamann': -rhamann.c:50:17: warning: unused variable 'itmp' [-Wunused-variable] - 50 | int p, npsps, itmp; - | ^~~~ Making all in paw_atom +make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' rpsp.c: In function 'init_RelPsp': rpsp.c:76:13: warning: unused variable 'tc' [-Wunused-variable] 76 | char *w, *tc; @@ -37802,7 +37774,6 @@ rpsp.c:73:10: warning: unused variable 'p1' [-Wunused-variable] 73 | int p, p1, p2; | ^~ -make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/pseudopotential/paw_atom' rpsp.c: At top level: rpsp.c:53:23: warning: 'clocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; @@ -37810,20 +37781,6 @@ rpsp.c:53:15: warning: 'rlocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ -xpansion.c: In function 'get_c0_c10': -xpansion.c:341:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] - 341 | ddelta = -fdnew*ddelta/(fdnew-fdold); - | ~~~~~~^~~~~~~ -xpansion.c:281:12: note: 'ddelta' was declared here - 281 | double ddelta; - | ^~~~~~ -xpansion.c: In function 'get_c0_c12': -xpansion.c:434:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] - 434 | ddelta = -fdnew*ddelta/(fdnew-fdold); - | ~~~~~~^~~~~~~ -xpansion.c:376:12: note: 'ddelta' was declared here - 376 | double ddelta; - | ^~~~~~ rhamann.c: In function 'solve_RelHamann': rhamann.c:423:3: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] 423 | R_Correlation_DFT (f, Vc, &ec, &pc); @@ -37841,7 +37798,15 @@ Compiling paw_orbitals.c... Compiling paw_kinetic_energy.c... Compiling paw_potential.c... -Compiling paw_dirac_exchange.c... +paw_basis.c: In function 'paw_init_paw_basis': +paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] + 116 | double *rgrid; + | ^~~~~ +paw_basis.c: In function 'paw_generate_projectors_vanderbilt': +paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] + 645 | double max_phi; + | ^~~~~~~ +paw_basis.c: In function 'paw_generate_projectors_blochl': paw_atom_driver.c: In function 'paw_atom_driver_': paw_atom_driver.c:116:11: warning: unused variable 'full_filename' [-Wunused-variable] 116 | char *full_filename = (char *) malloc(m9+25+5); @@ -37855,6 +37820,9 @@ paw_atom_driver.c:100:13: warning: unused variable 'fp' [-Wunused-variable] 100 | FILE *fp; | ^~ +paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] + 854 | double **test_matrix; + | ^~~~~~~~~~~ paw_atom_driver.c:99:16: warning: unused variable 'tc' [-Wunused-variable] 99 | char *w,*tc; | ^~ @@ -37870,6 +37838,9 @@ paw_atom_driver.c:96:20: warning: unused variable 'fchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ +paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] + 843 | double max_phi; + | ^~~~~~~ paw_atom_driver.c:96:14: warning: unused variable 'rchrg' [-Wunused-variable] 96 | double rchrg,fchrg,qchrg,pi; | ^~~~~ @@ -37990,49 +37961,34 @@ paw_atom_driver.c:76:14: warning: variable 'rlocal_out' set but not used [-Wunused-but-set-variable] 76 | double rlocal_out; | ^~~~~~~~~~ +paw_basis.c: In function 'paw_scattering_test': 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:75:14: warning: variable 'lmax_out' set but not used [-Wunused-but-set-variable] 75 | int lmax_out,locp_out; | ^~~~~~~~ -paw_atom.c: In function 'paw_init_paw_atom': -paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] - 316 | double *rgrid; - | ^~~~~ -Compiling paw_vosko.c... -paw_basis.c: In function 'paw_init_paw_basis': -paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] - 116 | double *rgrid; - | ^~~~~ -paw_basis.c: In function 'paw_generate_projectors_vanderbilt': -Compiling paw_hartree.c... -paw_scattering.c: In function 'paw_solve_paw_scattering': -paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] - 645 | double max_phi; - | ^~~~~~~ -paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] - 110 | int Ngrid; +paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] + 1453 | int Ngrid; | ^~~~~ -paw_basis.c: In function 'paw_generate_projectors_blochl': -paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] - 854 | double **test_matrix; - | ^~~~~~~~~~~ -paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] - 843 | double max_phi; - | ^~~~~~~ +Compiling paw_dirac_exchange.c... paw_pauli.c: In function 'paw_R_Pauli_Fixed_E': paw_pauli.c:356:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] 356 | node, | ^~~~ -paw_basis.c: In function 'paw_scattering_test': -paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] - 1453 | int Ngrid; - | ^~~~~ +paw_atom.c: In function 'paw_init_paw_atom': +paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] + 316 | double *rgrid; + | ^~~~~ paw_orbitals.c: In function 'paw_solve_scattering_orbitals': paw_orbitals.c:453:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] 453 | double *rgrid; | ^~~~~ +paw_scattering.c: In function 'paw_solve_paw_scattering': +paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] + 110 | int Ngrid; + | ^~~~~ +Compiling paw_vosko.c... paw_potential.c: In function 'paw_print_paw_potential_to_file': paw_potential.c:649:9: warning: pointer 'fp' used after 'fclose' [-Wuse-after-free] 649 | fclose(fp); @@ -38040,6 +37996,7 @@ paw_potential.c:647:9: note: call to 'fclose' here 647 | fclose(fp); | ^~~~~~~~~~ +Compiling paw_hartree.c... Compiling paw_core.c... Compiling paw_comp_charge.c... Compiling paw_ion.c... @@ -38054,13 +38011,6 @@ Compiling paw_output.c... Compiling paw_sdir.c... Compiling paw_my_memory.c... -paw_output.c: In function 'paw_generate_basis_file': -paw_output.c:39:14: warning: variable 'psi_ps0' set but not used [-Wunused-but-set-variable] - 39 | double** psi_ps0; - | ^~~~~~~ -paw_output.c:26:12: warning: variable 'tmp' set but not used [-Wunused-but-set-variable] - 26 | double tmp; - | ^~~ paw_orbitals.c: In function 'paw_print_orbitals_to_file': paw_orbitals.c:683:26: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); @@ -38089,6 +38039,13 @@ paw_orbitals.c:729:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +paw_output.c: In function 'paw_generate_basis_file': +paw_output.c:39:14: warning: variable 'psi_ps0' set but not used [-Wunused-but-set-variable] + 39 | double** psi_ps0; + | ^~~~~~~ +paw_output.c:26:12: warning: variable 'tmp' set but not used [-Wunused-but-set-variable] + 26 | double tmp; + | ^~~ paw_basis.c: In function 'paw_print_basis_to_file': paw_basis.c:1217:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 1217 | sprintf(title,"%s (%f)",nl_name,e_ps[i]); @@ -38129,26 +38086,26 @@ Making all in paw_utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' +make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_filefind.F... Compiling nwpw_scratch.F... -Compiling nwpw_scf_mixing.F... Compiling nwpw_list.F... +Compiling nwpw_scf_mixing.F... Compiling nwpw_spline.F... +Compiling nwpw_interp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling kerker_G.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpw_interp.F... -Compiling kerker_G.F... -make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities/paw_utilities' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -38158,6 +38115,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cpmd_properties.F... +Compiling nwpw_rdf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -38168,16 +38126,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpw_rdf.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pair_dist.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pair_dist.F... Compiling pair_dist2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling pair_distab.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -38193,12 +38155,6 @@ 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 pair_distab.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling auto_corr.F... pair_distab.F:61:43: 60 | call Parallel_Brdcst_values(MASTER,1,volume) @@ -38206,6 +38162,7 @@ 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -38223,10 +38180,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling is_sORd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling psi_filefind.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling psi_filefind.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -38237,28 +38194,28 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling getfilling.F... +Compiling CIF_write.F... +Compiling densityofstates.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling CIF_write.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling densityofstates.F... -Compiling MOTION_nframes.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling MOTION_nframes.F... Compiling spdf_name.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cell.F... @@ -38272,8 +38229,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cpsi_data.F... -Compiling psi_data.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling psi_data.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -38282,12 +38239,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling print_elapsed_time.F... +Compiling log_integrate.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling print_elapsed_time.F... -Compiling log_integrate.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -38302,6 +38259,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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 analysis_expansion_coef.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -38316,6 +38281,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpw_kbpp_ray.F... analysis_expansion_coef.F:70:49: 65 | if (.not. btdb_put(rtdb,id,mt_int,1,lorb)) @@ -38324,33 +38290,18 @@ 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_kbpp_ray.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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpw_talker.c... Compiling nwpw_expression.F... -Compiling BA_memory.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling nwpw_emachine.c... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling btdb.F... -Compiling beom.F... +Compiling BA_memory.F... nwpw_talker.c: In function 'nwpw_talker_': nwpw_talker.c:62:19: warning: unused variable 'valread' [-Wunused-variable] 62 | int sock = 0, valread; @@ -38363,6 +38314,30 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling btdb.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +nwpw_emachine.c: In function 'nwpw_gencode': +nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] + 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; + | ^~~~~ +nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] + 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; + | ^~~~ +nwpw_emachine.c: In function 'nwpw_emachine': +nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] + 482 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; + | ^~~~ +nwpw_emachine.c: In function 'nwpw_fmachine': +nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] + 673 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; + | ^~~~ +nwpw_emachine.c: In function 'nwpw_emachine_parse_': +nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] + 971 | int i; + | ^ nwpw_expression.F:79:60: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) @@ -38387,54 +38362,44 @@ 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 beom.F... +Compiling task_paulsmatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task_paulsmatrix.F... -nwpw_emachine.c: In function 'nwpw_gencode': -nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] - 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; - | ^~~~~ -nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] - 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; - | ^~~~ Compiling nwpw_cosmo.F... -nwpw_emachine.c: In function 'nwpw_emachine': f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] - 482 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; - | ^~~~ +Compiling nwpw_born.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -nwpw_emachine.c: In function 'nwpw_fmachine': -nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] - 673 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; - | ^~~~ -nwpw_emachine.c: In function 'nwpw_emachine_parse_': -nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] - 971 | int i; - | ^ -Compiling nwpw_born.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpw_cdft.F... -Compiling nwpw_fftpack3d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpw_fftpack3d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). nwpw_born.F:156:60: 148 | if (.not.btdb_get(rtdb,'nwpw:born_relax',mt_log,1,born_relax)) @@ -38499,14 +38464,6 @@ 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_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)). nwpw_cosmo.F:49:50: 49 | if (.not.btdb_get(rtdb,'slv:cosmo',mt_log,1,cosmo_on)) @@ -38574,15 +38531,15 @@ make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/utilities' Compiling nwpw_gaunt.F... Compiling nwpw_compcharge.F... -Compiling nwpw_gintegrals3.F... Compiling nwpw_xc.F... +Compiling nwpw_gintegrals3.F... Compiling nwpw_vosko.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling nwpw_SpecialKummer.F... +Compiling nwpw_gga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -38591,14 +38548,15 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpw_GaussBessel.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpw_gga.F... -Compiling nwpw_SpecialKummer.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -38607,16 +38565,15 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpw_GaussBessel.F... Compiling nwpw_WGaussian.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpw_gauss_weights.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -38860,11 +38817,11 @@ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/fractional' Compiling fractional.F... Compiling frac_occ_input.F... +Compiling frac_occ.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling frac_occ.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -40210,11 +40167,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling feff6Lib.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling feff6Lib.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -40344,16 +40301,17 @@ Compiling nwpwxc_block.F... Compiling nwpwxc_add.F... Compiling nwpwxc_query.F... +Compiling nwpwxc_nwchem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/nwpwxc' +Compiling nwpwxc_vdw3d.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_nwchem.F... -Compiling nwpwxc_vdw3d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -40362,7 +40320,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/nwpwlib/nwpwxc' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -40403,11 +40360,11 @@ Compiling nwpwxc_x_att.F... Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_bnl.F... -Compiling nwpwxc_x_camb88.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpwxc_x_camb88.F... Compiling nwpwxc_x_camlsd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -40421,11 +40378,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_x_campbe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpwxc_x_campbe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -40435,23 +40392,23 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_cams12.F... +Compiling nwpwxc_x_dirac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_x_dirac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling nwpwxc_x_gill.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_x_gill.F... Compiling nwpwxc_x_hse08.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_ft97.F... @@ -40470,31 +40427,31 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_x_opt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling nwpwxc_x_opt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpwxc_x_pbe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_x_pbe.F... -Compiling nwpwxc_x_rpbe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpwxc_x_rpbe.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_pkzb99.F... -Compiling nwpwxc_x_s12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpwxc_x_s12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -40515,56 +40472,56 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_vs98.F... +Compiling nwpwxc_c_b95.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_c_b95.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_ft97.F... -Compiling nwpwxc_c_lyp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_c_m05.F... +Compiling nwpwxc_c_lyp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpwxc_c_m05.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_m06.F... -Compiling nwpwxc_c_m11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpwxc_c_m11.F... +Compiling nwpwxc_c_opt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_c_opt.F... -Compiling nwpwxc_c_p91.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpwxc_c_p91.F... +Compiling nwpwxc_c_p91_vwn5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_c_p91_vwn5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling nwpwxc_c_pw91lda.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_c_pw91lda.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -40580,11 +40537,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_Mpbe.F... -Compiling nwpwxc_c_pkzb99.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpwxc_c_pkzb99.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -40600,21 +40557,25 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_lsda.F... -Compiling nwpwxc_c_vwn1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpwxc_c_vwn1.F... +Compiling nwpwxc_c_vwn1_rpa.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling nwpwxc_c_vwn2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_c_vwn1_rpa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_c_vwn2.F... nwpwxc_c_tpss03.F:463:72: 463 | en = pbe*(1.d0 + ccc*xx2) @@ -40625,21 +40586,17 @@ 104 | double precision zeta, ccc | ^ note: 'ccc' was declared here -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_vwn3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_vwn4.F... +Compiling nwpwxc_c_vwn5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_c_vwn5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -40650,21 +40607,22 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_vdw3b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpwxc_vdw3b.F... +Compiling nwpwxc_vdw3c.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_vdw3c.F... +Compiling nwpwxcP_xc_b97.c... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxcP_xc_b97.c... +Compiling nwpwxc_x_b97.F... nwpwxcP_xc_b97.c: In function 'nwpwxcp_c_b97_': 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; @@ -40672,7 +40630,6 @@ 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; | ^~~~~~ -Compiling nwpwxc_x_b97.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -40683,15 +40640,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_xc_kt1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling nwpwxc_c_spbe.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' -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwpwxc_vdw3c.F:509:43: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') @@ -40732,6 +40690,10 @@ 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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] nwpwxc_vdw3c.F:1738:41: 377 | if (np.gt.1) call GA_DGOP(9+MSGDBL,e6,1,'+') @@ -40772,21 +40734,23 @@ 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_vdw3b.F:1337:6: - - 1337 | FUNCTION nwpwxc_READAA(A,ISTART,IEND,IEND2) - | ^ -Warning: '__result_nwpwxc_readaa' is used uninitialized [-Wuninitialized] -Compiling nwpwxc_c_spbe.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_x_ssbD_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +nwpwxcP_xc_b97.c:642:13: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] + 642 | Gec_ab_rb = Gec_ab_rb - Gec_b0_rb; + | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ +nwpwxcP_xc_b97.c:553:10: note: 'Gec_b0_rb' was declared here + 553 | double Gec_b0_rb,Gec_b0_rbrb; + | ^~~~~~~~~ +nwpwxcP_xc_b97.c:641:13: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] + 641 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; + | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ +nwpwxcP_xc_b97.c:552:10: note: 'Gec_a0_ra' was declared here + 552 | double Gec_a0_ra,Gec_a0_rara; + | ^~~~~~~~~ Compiling nwpwxc_c_perdew81.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -40802,24 +40766,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -nwpwxcP_xc_b97.c:642:13: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] - 642 | Gec_ab_rb = Gec_ab_rb - Gec_b0_rb; - | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ -nwpwxcP_xc_b97.c:553:10: note: 'Gec_b0_rb' was declared here - 553 | double Gec_b0_rb,Gec_b0_rbrb; - | ^~~~~~~~~ -nwpwxcP_xc_b97.c:641:13: warning: 'Gec_a0_ra' may be used uninitialized [-Wmaybe-uninitialized] - 641 | Gec_ab_ra = Gec_ab_ra - Gec_a0_ra; - | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ -nwpwxcP_xc_b97.c:552:10: note: 'Gec_a0_ra' was declared here - 552 | double Gec_a0_ra,Gec_a0_rara; - | ^~~~~~~~~ Compiling nwpwxc_x_pw6.F... +Compiling nwpwxc_x_b86b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwpwxc_x_b86b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -40830,24 +40782,19 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling nwpwxc_c_scan.F... -./build_dftd3a.sh +nwpwxc_vdw3b.F:1337:6: + + 1337 | FUNCTION nwpwxc_READAA(A,ISTART,IEND,IEND2) + | ^ +Warning: '__result_nwpwxc_readaa' is used uninitialized [-Wuninitialized] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +./build_dftd3a.sh using existing dftd3.tgz patching file nwpwxc_vdw3a.F -nwpwxc_vdw3b.F:1139:9: - - 1139 | if(nl.lt.2)then - | ^ -Warning: 'nl' may be used uninitialized [-Wmaybe-uninitialized] Compiling nwpwxc_vdw3a.F... -nwpwxc_vdw3b.F:1109:23: - - 1109 | integer i,j,nn,nl - | ^ -note: 'nl' was declared here f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -40940,6 +40887,16 @@ 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_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 nwpwxc_vdw3a.F:1972:13: 1972 | . -e6,-e8,edisp @@ -41055,24 +41012,23 @@ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psi' Compiling dipole.F... Compiling dipole_efield.F... -Compiling orthocheck.f... -Compiling psi.F... -Compiling psi_spin2.F... -Compiling geodesic.F... -Compiling geodesic2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling Grassman.F... +Compiling orthocheck.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling psi.F... +Compiling psi_spin2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling geodesic.F... +Compiling geodesic2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -41081,30 +41037,28 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling psi_dmatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling Grassman.F... +Compiling psi_dmatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling psi_read.F... -Compiling psi_write.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling psi_write.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rho_write.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rho_read.F... Grassman.F:805:21: 142 | call ycopy(2*n*nfft3d,A,1,C,1) @@ -41113,6 +41067,10 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Grassman.F:805:29: 142 | call ycopy(2*n*nfft3d,A,1,C,1) @@ -41125,36 +41083,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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) -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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] psi_dmatrix.F:338:20: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) @@ -41163,14 +41095,6 @@ 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_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_dmatrix.F:269:22: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) @@ -41179,39 +41103,28 @@ 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) -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: +rho_write.F:90:26: - 104 | call iwrite(6,version,1) + 89 | call iwrite(6,version,1) | 2 -...... - 428 | call iwrite(6,ne,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) -psi_write.F:583:26: +rho_read.F:82:25: - 104 | call iwrite(6,version,1) - | 2 -...... - 583 | call iwrite(6,nfft,3) - | 1 + 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) -psi_write.F:586:26: +rho_read.F:104:56: - 104 | call iwrite(6,version,1) - | 2 + 95 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) + | 2 ...... - 586 | call iwrite(6,ne,2) - | 1 + 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 rho_read.F... psi_read.F:93:25: 92 | call iread(5,version,1) @@ -41339,26 +41252,70 @@ 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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling v_psi_read.F... -rho_read.F:82:25: +psi_write.F:105:26: - 81 | call iread(5,version,1) - | 2 - 82 | call iread(5,nfft,3) - | 1 + 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) -rho_read.F:104:56: +psi_write.F:108:26: - 95 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) - | 2 + 104 | call iwrite(6,version,1) + | 2 ...... - 104 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) - | 1 + 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 v_psi_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -41424,6 +41381,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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 psi_history.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -41435,15 +41400,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling psi_read_filename.F... -Compiling polarizability.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] psi_write_filename.F:92:26: 91 | call iwrite(6,version,1) @@ -41475,19 +41432,16 @@ 246 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling polarizability.F... Compiling berry_phase_pol.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rho_symmetrizer.F... psi_read_filename.F:76:22: 75 | call iread(5,version,1) @@ -41551,7 +41505,10 @@ 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 rho_symmetrizer.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -42011,13 +41968,11 @@ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/coulomb' Compiling coulomb.F... Compiling coulomb2.F... -Compiling coulomb_screened.F... -Compiling coulomb_screened_small.F... -Compiling coulomb_filter.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling coulomb_screened.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -42026,6 +41981,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling coulomb_screened_small.F... +Compiling coulomb_filter.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -42130,13 +42087,12 @@ Making all in vdw-DF make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' +make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling v_bwexc_all.F... Compiling v_exc.F... Compiling v_dirac.F... -make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling v_mexc.F... Compiling v_bwexc.F... -Compiling v_bwexc_euv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -42144,8 +42100,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling nwpw_meta_gga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling v_bwexc_euv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -42155,20 +42111,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling pbe96.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pbesol.f... +Compiling nwpw_meta_gga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pbe96.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling revpbe.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pbesol.f... +Compiling revpbe.f... Compiling blyp.f... nwpw_meta_gga.F:163:39: @@ -42186,11 +42143,27 @@ 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)). +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: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 Compiling b3lyp.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] v_bwexc.F:82:72: 82 | rhog(1) = fn(1) @@ -42291,40 +42264,12 @@ 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here -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: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 -Compiling bnl2007_x.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling bnl2007_x.F... Compiling hsepbe.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling beef_gga.f... -Compiling pw92c.f... -Compiling vs98.f... -Compiling tpss03.f... v_bwexc_euv.F:94:72: 94 | tmp(1) = fdn(1) @@ -42365,6 +42310,18 @@ 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling beef_gga.f... +Compiling pw92c.f... +Compiling vs98.f... +Compiling tpss03.f... Compiling scan.f... Compiling r2scan.f... Compiling pw91c.f... @@ -42450,7 +42407,6 @@ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/hfx' Compiling pspw_hfx.F... Compiling pspw_shfx.F... -Compiling pspw_hfx_localized.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -42459,42 +42415,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pspw_hfx_localized.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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)). pspw_shfx.F:946:72: 946 | > real_mb(dn(1))) @@ -42636,6 +42561,38 @@ 1420 | > real_mb(Hpsi_r_replicated(1))) | 1 Warning: Missing actual argument for argument '_formal_18' at (1) +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)). pspw_hfx.F:99:37: 46 | if (.not.btdb_get(rtdb,'pspw:HFX',mt_log,1,hfx_on)) @@ -42673,21 +42630,17 @@ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psp' Compiling MOTION.F... Compiling psp.F... -Compiling psp_olddebug.F... -Compiling psp_cmp_dE_Qlm.F... -Compiling paw.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling psp_stress.F... -Compiling semicore.F... +Compiling psp_olddebug.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling semicore_force.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling psp_cmp_dE_Qlm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -42695,28 +42648,32 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling paw.F... +Compiling psp_stress.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling semicore.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling semicore_force.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling psp_U.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling psp_ld.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling psp_ld.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -42805,26 +42762,6 @@ 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)). -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_olddebug.F:227:72: 227 | > dbl_mb(sum(1)+3*(n-1))) @@ -42855,6 +42792,26 @@ 35 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was 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: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 paw.F:379:72: 379 | > dbl_mb(psp_fmm_Mlm(1)),1) @@ -43046,36 +43003,6 @@ 4495 | > fion) | 1 Warning: Type mismatch in argument 'dng_notpaw' at (1); passed REAL(8) to COMPLEX(8) -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 psp.F:4339:22: 4337 | call iread(5,psp_type,1) @@ -43417,41 +43344,36 @@ 4812 | > ierr) | 1 Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8) -paw.F:1195:72: +psp_U.F:394:72: - 1195 | call Pack_tt_idot(0,dbl_mb(G(1)),dbl_mb(xtmp(1)),fion(1,ii)) + 394 | > dbl_mb(asum(1)+3*(n-1))) | ^ Warning: 'g[0]' may be used uninitialized [-Wmaybe-uninitialized] -paw.F:1120:41: +psp_U.F:200:18: - 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) - | ^ + 200 | integer G(3),npack1,nion,nu + | ^ note: 'g[0]' was declared here -paw.F:1196:72: +psp_U.F:396:72: - 1196 | call Pack_tt_idot(0,dbl_mb(G(2)),dbl_mb(xtmp(1)),fion(2,ii)) + 396 | > dbl_mb(asum(1)+1+3*(n-1))) | ^ Warning: 'g[1]' may be used uninitialized [-Wmaybe-uninitialized] -paw.F:1120:41: +psp_U.F:200:18: - 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) - | ^ + 200 | integer G(3),npack1,nion,nu + | ^ note: 'g[1]' was declared here -paw.F:1197:72: +psp_U.F:398:72: - 1197 | call Pack_tt_idot(0,dbl_mb(G(3)),dbl_mb(xtmp(1)),fion(3,ii)) + 398 | > dbl_mb(asum(1)+2+3*(n-1))) | ^ Warning: 'g[2]' may be used uninitialized [-Wmaybe-uninitialized] -paw.F:1120:41: +psp_U.F:200:18: - 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) - | ^ + 200 | integer G(3),npack1,nion,nu + | ^ note: 'g[2]' was declared here -paw.F:3420:23: - - 3420 | real*8 wij,taunt - | ^ -Warning: 'taunt' may be used uninitialized [-Wmaybe-uninitialized] psp.F:2033:72: 2033 | > dbl_mb(xtmp(1)),fion(1,ii)) @@ -43482,6 +43404,36 @@ 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here +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 psp.F:3537:72: 3537 | > dbl_mb(sum(1))) @@ -43512,6 +43464,11 @@ 3223 | integer G(3),npack0,npack1,nion,nu,mult_l,m,ms,lm | ^ note: 'g[2]' was declared here +paw.F:3420:23: + + 3420 | real*8 wij,taunt + | ^ +Warning: 'taunt' may be used uninitialized [-Wmaybe-uninitialized] make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psp' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/lib/psp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock @@ -43601,14 +43558,6 @@ 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)). pspw_lmbfgs3.F:80:40: 26 | call pspw_Grsm_list_store(2*m-1,g) @@ -43617,6 +43566,14 @@ 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_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)). pspw_lmbfgs3.F:93:25: 86 | > dbl_mb(ss(1)), @@ -43796,52 +43753,16 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/kbpp' Compiling psp_formatter_input.F... -Compiling psp_formatter.F... -Compiling psp_stress_formatter.F... -Compiling pawppv1.F... -Compiling hghppv1.F... -Compiling HGH_nonlocal.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling HGH_local.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling Tesseral.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling kbppv3.F... -Compiling kbppv3-stress.F... +Compiling psp_formatter.F... +Compiling psp_stress_formatter.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling setup_kbpp.f... psp_formatter_input.F:238:36: 192 | > mt_int,1,kbpp_number)) @@ -43851,7 +43772,15 @@ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling kbpp_ray.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pawppv1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hghppv1.F... psp_formatter.F:78:33: 47 | if(.not. btdb_get(rtdb,'kbpp_number',mt_int,1,kbpp_number)) @@ -43868,54 +43797,8 @@ 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) -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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling HGH_local.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -43935,6 +43818,12 @@ 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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling HGH_nonlocal.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling Tesseral.F... pawppv1.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) @@ -43943,6 +43832,7 @@ 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) +Compiling kbppv3.F... pawppv1.F:426:23: 424 | call iwrite(2,psp_type,1) @@ -43951,6 +43841,10 @@ 426 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] pawppv1.F:430:23: 427 | call dwrite(2,unita,9) @@ -44043,6 +43937,65 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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 kbppv3-stress.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling setup_kbpp.f... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling kbpp_ray.F... kbppv3.F:110:48: 102 | call Parallel_Brdcst_values(MASTER,msglen,zv) @@ -44114,6 +44067,10 @@ 322 | call iwrite(2,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbppv3.f... Compiling integrate_kbppv3_new.f... Compiling integrate_kbppv3_ray.f... @@ -44133,18 +44090,13 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling aorbs_formatter.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling kbpp_orb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling integrate_kbpp_orb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] kbpp_orb.F:103:48: @@ -44178,17 +44130,22 @@ 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... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_pawppv1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_paw_ray.F... +Compiling kbppv3d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling kbppv3d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -44238,6 +44195,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling integrate_kbppv3d.f... kbppv3d_stress.F:102:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) @@ -44246,7 +44204,6 @@ 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)). -Compiling integrate_kbppv3d.f... kbppv3d_stress.F:106:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) @@ -44263,17 +44220,17 @@ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling integrate_d_stress.F... -Compiling integrate_kbppv3d_new.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling integrate_kbppv3d_new.f... Compiling integrate_d_stress_new.F... +Compiling kbppv3e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling kbppv3e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -44339,7 +44296,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling integrate_kbppv3e.f... kbppv3e_stress.F:112:48: 105 | call Parallel_Brdcst_values(MASTER,msglen,zv) @@ -44363,6 +44319,7 @@ 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... kbppv3d.F:297:72: @@ -44427,10 +44384,10 @@ Compiling integrate_kbppv3e_ray.f... Compiling integrate_e_stress.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling integrate_e_stress_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling integrate_e_stress_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -44454,37 +44411,6 @@ Compiling wvfnc_init_input.F... Compiling wvfnc_init.F... Compiling wvfnc_new.F... -Compiling wvfnc_expander_input.F... -Compiling wvfnc_expander.F... -Compiling wvfnc_reformat.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wvfnc_ionize.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wvfnc_adjust.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wvfnc_convert_restricted.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling v_wvfnc_init_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -44493,23 +44419,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling wvfnc_expander_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling v_wvfnc_init.F... +Compiling wvfnc_expander.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling v_wvfnc_new.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_init_input.F:244:43: 234 | > mt_int,1,nup)) @@ -44534,45 +44453,7 @@ 254 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). -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_reformat.F... wvfnc_init.F:56:57: 50 | value = btdb_get(rtdb,'wvfnc:nup', mt_int,1,ne(1)) @@ -44608,28 +44489,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] wvfnc_new.F:169:20: 168 | call iwrite(6,version,1) @@ -44677,179 +44540,119 @@ 301 | call dwrite(6,fx,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) -wvfnc_expander.F:79:20: +Compiling wvfnc_ionize.F... +Compiling wvfnc_adjust.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +wvfnc_expander.F:63:19: - 75 | call iwrite(6,version,1) - | 2 -...... - 79 | call iwrite(6,ne,2) - | 1 + 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: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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -wvfnc_adjust.F:163:19: +wvfnc_reformat.F:67:19: - 162 | call iread(5,version,1) + 66 | call iread(5,version,1) | 2 - 163 | call iread(5,ngrid,3) + 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_adjust.F:166:19: +wvfnc_reformat.F:70:19: - 162 | call iread(5,version,1) + 66 | call iread(5,version,1) | 2 ...... - 166 | call iread(5,ne0,2) + 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_adjust.F:172:20: +wvfnc_reformat.F:82:20: - 171 | call iwrite(6,version,1) + 81 | call iwrite(6,version,1) | 2 - 172 | call iwrite(6,ngrid,3) + 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_adjust.F:175:20: +wvfnc_reformat.F:85:20: - 171 | call iwrite(6,version,1) + 81 | call iwrite(6,version,1) | 2 ...... - 175 | call iwrite(6,ne,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_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: +wvfnc_reformat.F:122:24: - 164 | call dread(5,unita,9) - | 2 + 68 | call dread(5,unita,9) + | 2 ...... - 240 | call dread(5,dcpl_mb(cfull_indx),n2ft3d) - | 1 + 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_adjust.F:300:26: +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +wvfnc_reformat.F:123:24: - 173 | call dwrite(6,unita,9) - | 2 + 83 | call dwrite(6,unita2,9) + | 2 ...... - 300 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) - | 1 + 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)). -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: +wvfnc_expander.F:66:19: - 162 | call iread(5,version,1) + 62 | call iread(5,version,1) | 2 ...... - 407 | call iread(4,ne0,2) + 66 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -v_wvfnc_new.F:60:20: +wvfnc_expander.F:76:20: - 59 | call iwrite(6,version,1) + 75 | call iwrite(6,version,1) | 2 - 60 | call iwrite(6,ngrid,3) + 76 | call iwrite(6,dngrid,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: +wvfnc_expander.F:79:20: - 59 | call iwrite(6,version,1) + 75 | call iwrite(6,version,1) | 2 ...... - 63 | call iwrite(6,ne,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_ionize.F:84:19: +wvfnc_expander.F:109:23: - 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) -v_wvfnc_new.F:73:22: + 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: - 61 | call dwrite(6,unita,9) - | 2 + 77 | call dwrite(6,unita,9) + | 2 ...... - 73 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) - | 1 + 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)). -wvfnc_convert_restricted.F:60:19: +Compiling wvfnc_convert_restricted.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling v_wvfnc_init_input.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +wvfnc_ionize.F:84:19: - 59 | call iread(5,version,1) + 83 | call iread(5,version,1) | 2 - 60 | call iread(5,ngrid,3) + 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: @@ -44891,6 +44694,18 @@ 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 v_wvfnc_init.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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) v_wvfnc_init_input.F:154:35: 144 | > mt_int,1,nup)) @@ -44954,6 +44769,126 @@ 118 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) +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)). +Compiling v_wvfnc_new.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pspw_wannier_input.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] v_wvfnc_init.F:46:59: 43 | value = btdb_get(rtdb,'v_wvfnc:nup', mt_int,1,ne(1)) @@ -44985,12 +44920,34 @@ 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 pspw_wannier_input.F... +Compiling pspw_wannier.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pspw_wannier.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -45011,19 +44968,13 @@ Compiling silvestrelli_minimize.F... Compiling pspw_wannier_old.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling silvestrelli_overlap_old.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling silvestrelli_minimize_old.F... silvestrelli_overlap.F:60:72: 60 | psis = rgrid(1) + n2ft3d @@ -45034,13 +44985,14 @@ 41 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here -Compiling pspw_wannier2.F... -Compiling pspw_translate.F... +Compiling silvestrelli_overlap_old.F... +Compiling silvestrelli_minimize_old.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling pspw_wannier2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -45048,17 +45000,22 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling expand_cell.F... +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 pspw_translate.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wvfnc_expand_cell.F... -silvestrelli_overlap_old.F:53:72: - - 53 | psic = rgrid(1) - | ^ -Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] +Compiling expand_cell.F... pspw_wannier2.F:236:28: 221 | call Pack_c_Copy(1,dcpl_mb(psi(1) +(n-1)*npack1), @@ -45075,26 +45032,20 @@ 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)). -silvestrelli_overlap_old.F:38:22: - - 38 | integer rgrid(2),Tc(2),Ts(2),psic,psis - | ^ -note: 'rgrid' declared here +Compiling wvfnc_expand_cell.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 band_reformat_c_wvfnc.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] expand_cell.F:51:44: 38 | value = btdb_get(rtdb,'nwpw:cell_expand',mt_int,3,cell_expand) @@ -45103,10 +45054,7 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling makenodefunctions.F... wvfnc_expand_cell.F:61:19: 60 | call iread(5,version,1) @@ -45114,11 +45062,6 @@ 61 | call iread(5,ngrid,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -Compiling makenodefunctions.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] wvfnc_expand_cell.F:64:19: 60 | call iread(5,version,1) @@ -45150,6 +45093,11 @@ 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)). +silvestrelli_overlap_old.F:53:72: + + 53 | psic = rgrid(1) + | ^ +Warning: 'rgrid' may be used uninitialized [-Wmaybe-uninitialized] wvfnc_expand_cell.F:132:24: 92 | call dwrite(6,unita,9) @@ -45158,6 +45106,22 @@ 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)). +silvestrelli_overlap_old.F:38:22: + + 38 | integer rgrid(2),Tc(2),Ts(2),psic,psis + | ^ +note: 'rgrid' declared here +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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) makenodefunctions.F:113:72: 113 | call psi_derivative_f(itype,gx,gy,gz,psir) @@ -45179,13 +45143,6 @@ 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)). -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) @@ -45302,17 +45259,12 @@ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cpsd' Compiling cpsd_input.F... Compiling cpmd_input.F... -Compiling inner_loop_md.F... -Compiling cpsdv5.F... -Compiling cpmdv5.F... -Compiling mm_loop.F... -Compiling mmsdv1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cpmdv5.F... +Compiling cpsdv5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -45325,23 +45277,35 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mmsdv1.F... +Compiling inner_loop_md.F... +cpsdv5.F:790:2: + + 790 | #warning backspace + | 1~~~~~~ +Warning: #warning backspace [-Wcpp] +Compiling mm_loop.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling psi_lmbda.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -cpsdv5.F:790:2: - - 790 | #warning backspace - | 1~~~~~~ -Warning: #warning backspace [-Wcpp] -Compiling psi_lmbda_sic.f... +Compiling psi_lmbda.f... cpmd_input.F:172:54: 155 | > geometry_optimize) @@ -45350,15 +45314,9 @@ 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)). -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 psi_lmbda_sic.f... Compiling psi_lmbda_paw.f... +Compiling psi_lmbda2.f... inner_loop_md.F:465:27: 444 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) @@ -45375,7 +45333,6 @@ 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 psi_lmbda2.f... Compiling psi_lmbda3.f... cpmdv5.F:354:50: @@ -45415,37 +45372,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling fei_output.F... +Compiling dipole_motion.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dipole_motion.F... -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 pspw_et.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pspw_et.F... -Compiling runsocket.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling runsocket.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -45459,6 +45400,7 @@ 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(*)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] runsocket.F:148:43: 94 | call nwpw_talker_write(sock,statebuffer,12) @@ -45467,10 +45409,33 @@ 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(*)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). +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)). inner_loop.F:477:27: 451 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) @@ -45487,14 +45452,6 @@ 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)). -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)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cpsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock @@ -45510,26 +45467,26 @@ Compiling pspw_noit_energy.F... Compiling pspw_energy.F... Compiling pspw_gradient.F... +Compiling pspw_bq_gradient.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pspw_bq_gradient.F... -Compiling cgsdv5.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling pspw_stress.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cgsdv5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cgmontecarlov1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cgmontecarlov1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -45564,16 +45521,15 @@ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). Compiling cgmdv5.F... -Compiling mmmdv1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mmmdv1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cgsd_noit_energy.F... cgsd_input.F:445:54: 437 | > frac_coord) @@ -45583,13 +45539,10 @@ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cgsd_noit_energy.F... Compiling cgsd_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -45632,71 +45585,43 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cgsd_oep_eigenvalues.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) -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: +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +cgoptimize1.F:716:25: - 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) + 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... - 1056 | > 3,dipole) + 716 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -cgmontecarlov1.F:1059:25: +cgoptimize1.F:719:25: - 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) + 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... - 1059 | > 3,cdipole) + 719 | > 3,cdipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -cgmontecarlov1.F:1069:25: +cgoptimize1.F:729:25: - 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) + 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... - 1069 | > 9,stress) + 729 | > 9,stress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) -cgmontecarlov1.F:1072:25: +cgoptimize1.F:732:25: - 1053 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) + 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... - 1072 | > 6,lstress) + 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) +Compiling cgsd_oep_eigenvalues.F... Compiling cgminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -45706,33 +45631,25 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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: +mmmdv1.F:719:25: - 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) + 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... - 719 | > 3,cdipole) + 719 | > 3,dipole) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -cgoptimize1.F:729:25: +mmmdv1.F:729:25: - 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) + 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) -cgoptimize1.F:732:25: +mmmdv1.F:732:25: - 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) + 716 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) | 2 ...... 732 | > 6,lstress) @@ -45771,6 +45688,46 @@ 1095 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) +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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -45783,6 +45740,7 @@ 281 | > mt_dbl, deltae, 1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). +Compiling cgminimizeABC.F... cgsd_energy.F:1209:19: 101 | call ycopy(40,0.0d0,0,E,1) @@ -45799,7 +45757,6 @@ 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 cgminimizeABC.F... Compiling bfgsminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -45810,11 +45767,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling bfgsminimize2.F... -Compiling bfgsminimize3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling bfgsminimize3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -45825,10 +45782,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling bybminimize0.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling bybminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -45844,31 +45797,35 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nominimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling md_energy.F... +Compiling nominimize.F... bybminimize.F:270:72: 270 | deltae = Enew-Eold | ^ Warning: 'enew' may be used uninitialized [-Wmaybe-uninitialized] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] bybminimize.F:45:21: 45 | real*8 Enew,Eold,alpha | ^ note: 'enew' was declared here -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling kp_structure.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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 cgsdv5.F:648:13: 648 | if (EVQ.gt.0.0d0) write(LuOut,1601) EV+EVQ @@ -45879,6 +45836,16 @@ 61 | real*8 EV,EVQ,pi,rs | ^ note: 'evq' was declared here +Compiling md_energy.F... +Compiling kp_structure.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pspw_director.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -45920,16 +45887,6 @@ 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here -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 cgmontecarlov1.F:832:72: 832 | > dbl_mb(ion_rion_ptr())) @@ -45955,37 +45912,45 @@ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis/APC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis/APC' Compiling analysis_input.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling analysis.F... Compiling orb_pop.F... Compiling orb_pop_kawai.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling orb_pop_aorb.F... -Compiling orb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling orb_pop_aorb.F... +Compiling orb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling pspw_Lubin_water_analysis.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pspw_Lubin_water_analysis.F... Compiling pspw_atom_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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -46002,31 +45967,24 @@ 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)). -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)). +make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis' Compiling pspw_APC.F... Compiling pspw_atom_Efield.F... Compiling util_diag_jacobi.F... -Compiling util_sorteps.F... -Compiling pspw_atom_Efield_grad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling util_sorteps.F... +Compiling pspw_atom_Efield_grad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -46091,7 +46049,6 @@ 267 | integer G(3) | ^ note: 'g[2]' was declared here -make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis' make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis/APC' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/analysis/APC' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock @@ -46112,31 +46069,6 @@ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/cell_optimize' Compiling cell_optimize_input.F... Compiling cell_optimize.F... -Compiling update_unitcell.F... -Compiling pspw_stress_numerical.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pspw_force_numerical.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling force_fd.F... -Compiling stress_fd.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -46169,6 +46101,23 @@ 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 update_unitcell.F... +Compiling pspw_stress_numerical.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pspw_force_numerical.F... +Compiling force_fd.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling stress_fd.F... cell_optimize.F:44:32: 36 | > mt_int,1,optimize_strategy) @@ -46185,6 +46134,14 @@ 48 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) @@ -46284,10 +46241,9 @@ Making all in pspw_LJ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' -make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' Compiling pspw_qmmm_input.F... -Compiling pspw_2qmmm.F... Compiling pspw_qmmm.F... +Compiling pspw_2qmmm.F... Compiling pspw_springs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -46301,6 +46257,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -46406,6 +46363,7 @@ 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)). +make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm' make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libpspw.lock @@ -46416,7 +46374,6 @@ make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_LJ' Making all in pspw_Q make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' -make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/pspw/qmmm/pspw_Q' Compiling pspw_Q.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -46693,19 +46650,17 @@ Compiling lcao_wvfnc.F... Compiling wvfnc_new_lcao_density.F... Compiling lcao_write_matrix.F... -Compiling lcao_generate_smatrix.F... -Compiling lcao_generate_kematrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling lcao_generate_vlmatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling lcao_generate_vnlmatrix.F... +Compiling lcao_generate_smatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling lcao_generate_kematrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -46713,35 +46668,44 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling lcao_generate_vhxcmatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling lcao_generate_vlmatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling lcao_generate_vnlmatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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_generate_vhxcmatrix.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling lcao_init_dn.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling lcao_init_dn.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling lcao_new_dn.F... +Compiling lcao_make_psi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling lcao_make_psi.F... -Compiling lcao_write_psi.F... lcao_generate_vlmatrix.F:98:30: 75 | call Pack_c_unpack(0,dcpl_mb(vl(1))) @@ -46750,10 +46714,6 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] lcao_generate_vlmatrix.F:99:33: 76 | call D3dB_cr_pfft3b(1,0,dcpl_mb(vl(1))) @@ -46778,15 +46738,21 @@ 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)). -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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling lcao_write_psi.F... +Compiling lcaov1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +lcao_generate_vlmatrix.F:40:72: + + 40 | vpsi = vlr_l(1) + | ^ +Warning: 'vlr_l' may be used uninitialized [-Wmaybe-uninitialized] lcao_generate_vhxcmatrix.F:172:31: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) @@ -46795,6 +46761,11 @@ 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_vlmatrix.F:20:28: + + 20 | integer vl(2),vlr_l(2),rgrid(2),vpsi + | ^ +note: 'vlr_l' declared here lcao_generate_vhxcmatrix.F:172:44: 152 | call Pack_c_Copy(1,phi2,dbl_mb(vpsi)) @@ -46803,20 +46774,6 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 lcaov1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -47453,15 +47410,15 @@ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/paw/paw_mult' Compiling paw_mult.F... Compiling paw_mult_interaction.F... -Compiling paw_mult_energy.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling paw_mult_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -47747,12 +47704,12 @@ Compiling paw_Grsm_list.F... Compiling paw_lmbfgs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] paw_lmbfgs.F:80:32: @@ -47826,8 +47783,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -48102,141 +48059,141 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -paw_inner_loop_md.F:331:32: +paw_inner_loop.F:327:32: - 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) + 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... - 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) + 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_md.F:331:40: +paw_inner_loop.F:327:40: - 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) + 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) | 2 ...... - 331 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) + 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_md.F:356:44: +paw_inner_loop.F:345:44: - 307 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) + 303 | 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))) + 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_md.F:403:28: +paw_inner_loop.F:392:28: - 386 | > dn_cmp_smooth, + 375 | > dn_cmp_smooth, | 2 ...... - 403 | > dcpl_mb(vh(1)), + 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_md.F:420:32: +paw_inner_loop.F:409:32: - 308 | call Pack_c_unpack(1,psi_r(1,n)) + 304 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... - 420 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) + 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_md.F:421:32: +paw_inner_loop.F:410:32: - 309 | call D3dB_cr_fft3b(1,psi_r(1,n)) + 305 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... - 421 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) + 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_md.F:422:35: +paw_inner_loop.F:411:35: - 310 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) + 306 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... - 422 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) + 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_md.F:722:23: +paw_inner_loop.F:603:41: - 387 | > dcpl_mb(dng(1)), + 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 ...... - 722 | > dn_cmp_smooth, - | 1 + 675 | > dn_cmp_smooth, + | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). -paw_inner_loop.F:327:32: +paw_inner_loop_md.F:331:32: - 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) + 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... - 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) + 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.F:327:40: +paw_inner_loop_md.F:331:40: - 293 | call ycopy(2*npack1*nemax,psi2,1,psi1,1) + 288 | call ycopy(2*npack1*nemax,psi1,1,psi0,1) | 2 ...... - 327 | call ycopy(ispin*n2ft3d,0.0d0,0,dn,1) + 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.F:345:44: +paw_inner_loop_md.F:356:44: - 303 | call Pack_c_Copy(1,psi1(1,n),psi_r(1,n)) + 307 | 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))) + 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.F:392:28: +paw_inner_loop_md.F:403:28: - 375 | > dn_cmp_smooth, + 386 | > dn_cmp_smooth, | 2 ...... - 392 | > dcpl_mb(vh(1)), + 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.F:409:32: +paw_inner_loop_md.F:420:32: - 304 | call Pack_c_unpack(1,psi_r(1,n)) + 308 | call Pack_c_unpack(1,psi_r(1,n)) | 2 ...... - 409 | call Pack_c_unpack(0,dcpl_mb(tmp1(1))) + 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.F:410:32: +paw_inner_loop_md.F:421:32: - 305 | call D3dB_cr_fft3b(1,psi_r(1,n)) + 309 | call D3dB_cr_fft3b(1,psi_r(1,n)) | 2 ...... - 410 | call D3dB_cr_fft3b(1,dcpl_mb(tmp1(1))) + 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.F:411:35: +paw_inner_loop_md.F:422:35: - 306 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) + 310 | call D3dB_r_Zero_Ends(1,psi_r(1,n)) | 2 ...... - 411 | call D3dB_r_Zero_Ends(1,dcpl_mb(tmp1(1))) + 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.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: +paw_inner_loop_md.F:722:23: - 376 | > dcpl_mb(dng(1)), + 387 | > dcpl_mb(dng(1)), | 2 ...... - 675 | > dn_cmp_smooth, - | 1 + 722 | > dn_cmp_smooth, + | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). paw_sd.F:903:40: @@ -48287,6 +48244,7 @@ Compiling paw_cgminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling paw_bfgsminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -48297,6 +48255,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling paw_nominimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -48305,17 +48264,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling paw_bfgsminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling paw_nominimize.F... +Compiling paw_sdminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling paw_sdminimize.F... +Compiling paw_cgsd_noit_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -48324,12 +48282,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling paw_cgsd_noit_energy.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -48505,11 +48462,12 @@ 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)). -Compiling band_noit_energy.F... Compiling task_band.F... Compiling band_energy.F... +Compiling band_noit_energy.F... Compiling band_gradient.F... Compiling band_stress.F... +make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/minimizer' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -48530,7 +48488,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/minimizer' band_energy.F:69:51: 40 | if (.not.rtdb_get(rtdb,'nwpw:rho_use_symmetry',mt_log,1,use_sym)) @@ -48549,16 +48506,19 @@ Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band' Compiling band_minimizer.F... -Compiling c_cgsd_energy.F... -Compiling c_cgsd_noit_energy.F... Compiling c_cgsd_energy_gradient.F... -Compiling c_cgsd_energy_stress.F... +Compiling c_cgsd_noit_energy.F... Compiling c_cgsd_excited.F... -Compiling c_cgminimize.F... +Compiling c_cgsd_energy_stress.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling c_cgminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling c_cgminimize2.F... +Compiling c_cgminimizeABC.F... +Compiling c_cgsd_energy.F... +Compiling c_bfgsminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -48575,43 +48535,40 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling c_cgminimize2.F... +Compiling c_bfgsminimizeABC.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling c_cgminimizeABC.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling c_bfgsminimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling c_bfgsminimizeABC.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling c_bybminimize0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling c_bybminimize0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -48647,15 +48604,15 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling c_bybminimize2.F... Compiling c_sdminimize.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling c_nominimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling c_nominimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -48726,36 +48683,36 @@ 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_kp_structure.F:23:33: +band_interpolate_structure.F:22:33: - 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV + 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] -band_kp_structure.F:23:33: Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] -band_kp_structure.F:190:72: +band_interpolate_structure.F:22:33: Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] +band_interpolate_structure.F:262:72: - 190 | dist = (kv(1)-kold(1))**2 + 262 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] -band_kp_structure.F:23:33: +band_interpolate_structure.F:22:33: - 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV + 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here -band_interpolate_structure.F:22:33: +band_kp_structure.F:23:33: - 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV + 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ Warning: 'kold[2]' may be used uninitialized [-Wmaybe-uninitialized] -band_interpolate_structure.F:22:33: Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] -band_interpolate_structure.F:262:72: +band_kp_structure.F:23:33: Warning: 'kold[1]' may be used uninitialized [-Wmaybe-uninitialized] +band_kp_structure.F:190:72: - 262 | dist = (kv(1)-kold(1))**2 + 190 | dist = (kv(1)-kold(1))**2 | ^ Warning: 'kold[0]' may be used uninitialized [-Wmaybe-uninitialized] -band_interpolate_structure.F:22:33: +band_kp_structure.F:23:33: - 22 | real*8 ks(3),kv(3),kold(3),pathlength,dist,e1,e2,EV + 23 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV | ^ note: 'kold[0]' was declared here band_structure.F:60:37: @@ -48786,8 +48743,8 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/cpsd' Compiling band_sd.F... -Compiling band_inner_loop.F... Compiling band_cpmd.F... +Compiling band_inner_loop.F... Compiling band_inner_loop_md.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -49048,57 +49005,52 @@ Compiling cpsp_formatter_auto.F... Compiling borbs_formatter.F... Compiling kbpp_band.F... +Compiling kbpp_band_orb.F... +Compiling setup_kbpp_band.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling integrate_kbpp_band_local.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling kbpp_band_orb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling integrate_kbpp_band_nonlocal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling setup_kbpp_band.f... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 integrate_kbpp_band_local.F... -Compiling integrate_kbpp_band_nonlocal.F... +Compiling integrate_kbpp_band_orb.F... +Compiling kbpp_band_ray.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling integrate_kbpp_band_ray.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling integrate_kbpp_band_local_new.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling integrate_kbpp_band_nonlocal_new.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] kbpp_band.F:113:27: 112 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) @@ -49138,32 +49090,6 @@ 388 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling integrate_kbpp_band_orb.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling kbpp_band_ray.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling integrate_kbpp_band_ray.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling integrate_kbpp_band_local_new.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling integrate_kbpp_band_nonlocal_new.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -49171,6 +49097,37 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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 cpsp_stress_formatter_auto.F... Compiling kbpp_band_stress.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -49210,12 +49167,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_band_stress_nonlocal.F... -Compiling integrate_kbpp_band_stress_ray.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling integrate_kbpp_band_stress_ray.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -49241,34 +49198,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling Tesseral_band.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling Spherical_band.F... -Compiling hghpp_band.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rkbpp_band.F... -Compiling kbpp_e_band.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling hghpp_band.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling integrate_kbpp_e_band_nonlocal.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rkbpp_band.F... hghpp_band.F:123:27: 118 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) @@ -49317,7 +49260,20 @@ 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 integrate_kbpp_e_band_nonlocal_new.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling kbpp_e_band.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling integrate_kbpp_e_band_nonlocal.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] kbpp_e_band.F:125:48: 118 | call Parallel_Brdcst_values(MASTER,msglen,zv) @@ -49326,9 +49282,6 @@ 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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] kbpp_e_band.F:126:49: 120 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) @@ -49337,7 +49290,6 @@ 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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] kbpp_e_band.F:386:23: 384 | call iwrite(2,psp_type,1) @@ -49433,6 +49385,11 @@ 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)). +Compiling integrate_kbpp_e_band_nonlocal_new.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_e_band_local.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -49444,6 +49401,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_e_band_ray.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling kbpp_e_band_stress.F... rkbpp_band.F:854:72: 854 | return @@ -49458,31 +49420,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling kbpp_e_band_stress.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling integrate_kbpp_e_band_stress_local.F... -Compiling integrate_kbpp_e_band_stress_local_new.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -rkbpp_band.F:761:72: - - 761 | f(k)=a*vv*rho(k) - | ^ -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 kbpp_e_band_stress.F:117:48: 109 | call Parallel_Brdcst_values(MASTER,msglen,zv) @@ -49491,7 +49428,6 @@ 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) -Compiling integrate_kbpp_e_band_stress_ray.F... kbpp_e_band_stress.F:118:49: 111 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) @@ -49507,16 +49443,37 @@ 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... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling integrate_kbpp_e_band_stress_ray.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling integrate_kbpp_e_band_stress_nonlocal.F... -Compiling integrate_kbpp_e_band_stress_nonlocal_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +rkbpp_band.F:761:72: + + 761 | f(k)=a*vv*rho(k) + | ^ +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 integrate_kbpp_e_band_stress_nonlocal_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -49544,11 +49501,58 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling c_wvfnc_adjust.F... Compiling c_v_wvfnc_new.F... -Compiling pspw_reformat_c_wvfnc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pspw_reformat_c_wvfnc.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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -49642,53 +49646,6 @@ 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)). -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) c_wvfnc_adjust.F:169:19: 168 | call iread(5,version,1) @@ -49908,10 +49865,6 @@ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/band/lib/cpsp' Compiling cpsp.F... Compiling cpsp_relativistic.F... -Compiling cpsp_projector.F... -Compiling cpsp_stress.F... -Compiling c_semicore.F... -Compiling c_semicore_force.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -49920,7 +49873,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cpsp_projector.F... +Compiling cpsp_stress.F... +Compiling c_semicore.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling c_semicore_force.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -49931,11 +49888,19 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). cpsp_stress.F:587:22: 586 | call iread(5,version,1) @@ -49951,14 +49916,6 @@ 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) -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)). cpsp_relativistic.F:542:22: 335 | > orb2, npack1) @@ -50143,11 +50100,6 @@ 1566 | > orb2, npack1) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). -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] cpsp_relativistic.F:570:72: 570 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) @@ -50208,6 +50160,11 @@ 650 | integer nfft3d,G(3),npack1,npack | ^ note: 'g[2]' was declared here +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] cpsp.F:734:72: 734 | call C3dB_t_Copy(1,dbl_mb(G(1)),dbl_mb(Gx(1))) @@ -50575,21 +50532,6 @@ Compiling cpsi.F... Compiling c_geodesic.F... Compiling c_geodesic2.F... -Compiling cpsi_lmbda.F... -Compiling cpsi_lmbda2.F... -Compiling cpsi_KS.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -50598,63 +50540,61 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling BGrsm.F... +Compiling cpsi_lmbda.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling c_check.F... -Compiling cpsi_spin2.F... +Compiling cpsi_lmbda2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cpsi_KS.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cpsi_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling BGrsm.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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] cpsi_lmbda2.F:85:72: 85 | > failed) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling cpsi_write.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cpsi_spin2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling c_check.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling crho_read.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cpsi_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling crho_write.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cpsi_write.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 crho_read.F... BGrsm.F:113:34: 83 | call ycopy(nsize,0.0d0,0,A,1) @@ -50663,6 +50603,50 @@ 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)). +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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] crho_read.F:87:25: 86 | call iread(5,version,1) @@ -50670,14 +50654,25 @@ 87 | call iread(5,nfft,3) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -BGrsm.F:138:23: +crho_read.F:110:56: - 83 | call ycopy(nsize,0.0d0,0,A,1) - | 2 + 101 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) + | 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)). + 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) +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 crho_write.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -50785,14 +50780,6 @@ 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) -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) cpsi_write.F:108:26: 107 | call iwrite(6,version,1) @@ -50808,6 +50795,7 @@ 117 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) +Compiling cpsi_new.F... cpsi_write.F:310:26: 107 | call iwrite(6,version,1) @@ -50872,59 +50860,92 @@ 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 v_cpsi_new.F... -c_geodesic.F:928:25: +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +crho_write.F:90:26: - 402 | > dbl_mb(ynewshift)) + 89 | call iwrite(6,version,1) | 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: + 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 v_cpsi_new.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling v_cpsi_read.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +v_cpsi_read.F:90:22: - 805 | > dbl_mb(tGshift),npack1, - | 2 + 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 ...... - 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: + 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: - 392 | > dbl_mb(vtshift), - | 2 + 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 ...... - 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: + 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: - 1421 | > dbl_mb(cpsi_data_get_allptr(Vt_tag)), - | 2 + 185 | call cpsi_data_add(psi0_tag,nbq,q,dcpl_mb(tmp2(1))) + | 2 ...... - 1523 | > dcpl_mb(tmp2(1)), - | 1 -Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). -Compiling v_cpsi_read.F... + 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -c_geodesic.F:1668:72: +Compiling c_rho_symmetrizer.F... +v_cpsi_write.F:92:23: - 1668 | denergy = denergy + denergyB - | ^ -Warning: 'denergy' is used uninitialized [-Wuninitialized] -c_geodesic.F:1594:21: + 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: - 1594 | real*8 denergy,denergyB,denergyA,denergyC,denergyBdag - | ^ -note: 'denergy' was declared here + 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) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling v_cpsi_write.F... +Compiling cpsi_printeigall.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -51028,70 +51049,6 @@ 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) -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)). -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... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cpsi_printeigall.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cpsi.F:1431:72: 1431 | call c_electron_run00(nb,psi2_tag) @@ -51576,6 +51533,7 @@ Making all in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/minimizer' +make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/minimizer' Compiling ofpw_energy.F... Compiling task_ofpw.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -51586,7 +51544,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/minimizer' make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw' Compiling ofpw_minimizer.F... Compiling ofpw_cgsd_energy.F... @@ -51758,37 +51715,6 @@ 89 | call iwrite(6,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -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) chi_expander.F:60:19: 59 | call iread(5,version,1) @@ -51811,6 +51737,13 @@ 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_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_expander.F:75:20: 71 | call iwrite(6,version,1) @@ -51819,6 +51752,22 @@ 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_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_expander.F:100:23: 61 | call dread(5,unita,9) @@ -51835,6 +51784,14 @@ 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)). +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) make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/chi' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/nwpw/ofpw/lib/chi' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libofpw.lock @@ -51977,15 +51934,16 @@ Compiling scffti.F... Compiling dcftb1.F... Compiling scftb1.F... +Compiling dcftf1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling scftf1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dcftf1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -52001,27 +51959,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dcfti1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling scftf1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling scfti1.F... -Compiling dcfti1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling scfti1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -52029,12 +51986,9 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dpssb.F... Compiling spssb.F... +Compiling dpssb.F... Compiling dpssb2.F... -Compiling spssb2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -52044,12 +51998,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling dpssb3.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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 spssb2.F... dpssb2.F:25:41: 20 | do 103 i=2,ido,2 @@ -52066,21 +52028,30 @@ 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) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling dpssb3.F... Compiling spssb3.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -dcfti1.F:19:72: +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +scfti1.F:14:72: - 19 | if (j.gt.4) ntry = ntry + 2 + 14 | 103 ntry = ntry+2 | ^ Warning: 'ntry' may be used uninitialized [-Wmaybe-uninitialized] -dcfti1.F:18:22: +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +scfti1.F:12:10: - 18 | if (j.le.4) ntry = ntryh(j) - | ^ + 12 | 102 ntry = ntryh(j) + | ^ note: 'ntry' was declared here +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dpssb3.F:46:41: 33 | do 103 i=2,ido,2 @@ -52113,27 +52084,16 @@ 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 dpssb4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 dpssb4.F... Compiling spssb4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dpssb5.F... dpssb4.F:51:43: 34 | do 103 i=2,ido,2 @@ -52182,15 +52142,12 @@ 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 spssb5.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dpssb5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling spssb5.F... dpssb5.F:81:43: 54 | do 103 i=2,ido,2 @@ -52256,10 +52213,10 @@ | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling dpssf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dpssf.F... Compiling spssf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -52296,6 +52253,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dpssf3.F... +Compiling spssf3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -52332,13 +52290,11 @@ 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dpssf4.F... -Compiling spssf4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -52391,16 +52347,17 @@ 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dpssf5.F... -Compiling spssf5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling spssf5.F... dpssf5.F:76:43: 49 | do 103 i=2,ido,2 @@ -52471,20 +52428,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling drfftb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling srfftb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling srfftb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling drfftf.F... -Compiling srfftf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling srfftf.F... Compiling drffti.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -52495,22 +52452,22 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling srffti.F... +Compiling drftb1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling drftb1.F... -Compiling srftb1.F... -Compiling drftf1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling srftf1.F... +Compiling srftb1.F... +Compiling drftf1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling srftf1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -52520,22 +52477,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling drfti1.F... +Compiling srfti1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling srfti1.F... -Compiling dradb2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dradb2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling sradb2.F... -Compiling dradb3.F... dradb2.F:33:44: 28 | do i = 1, (ido - 1)/2 @@ -52552,6 +52508,7 @@ 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 dradb3.F... Compiling sradb3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -52561,11 +52518,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dradb4.F... dradb3.F:46:44: 33 | do i = 1, ((ido - 1)/2) @@ -52598,12 +52550,11 @@ 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 sradb4.F... +Compiling dradb4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] srfti1.F:16:72: 16 | 103 ntry = ntry+2 @@ -52614,10 +52565,17 @@ 14 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here -Compiling dradb5.F... +Compiling sradb4.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dradb5.F... +Compiling sradb5.F... dradb4.F:54:44: 37 | do i = 1, ((ido - 1)/2) @@ -52666,7 +52624,12 @@ 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 sradb5.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dradbg.F... +Compiling sradbg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -52731,6 +52694,10 @@ 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) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dradb5.F:78:46: 44 | do i = 1, ((ido - 1)/2) @@ -52739,18 +52706,9 @@ 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 dradbg.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sradbg.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dradf2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling sradf2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -52761,7 +52719,7 @@ 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) -Compiling sradf2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] dradf2.F:30:46: 28 | do i = 1, ((ido - 1)/2) @@ -52770,11 +52728,10 @@ 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 dradf3.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dradf3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -52869,20 +52826,16 @@ Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling sradf4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dradf5.F... -Compiling sradf5.F... -Compiling dradfg.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling sradf5.F... +Compiling dradfg.F... dradf5.F:41:44: 40 | do i = 1, ((ido - 1)/2) @@ -52914,7 +52867,6 @@ 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) -Compiling sradfg.F... dradf5.F:45:44: 40 | do i = 1, ((ido - 1)/2) @@ -52951,6 +52903,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling sradfg.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -52971,19 +52928,20 @@ Compiling drain.F... Compiling fillup.F... Compiling mapfil.F... -Compiling prlst2.F... Compiling mapchk.F... +Compiling prlst2.F... Compiling xstop.F... +Compiling pairup.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling pairup.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling gexit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -52991,7 +52949,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gexit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -53008,11 +52965,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling igdiff.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling igdiff.F... Compiling lstcnt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -53028,67 +52985,67 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pfft.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pfft3d.F... +Compiling prfft3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling prfft3.F... Compiling prfft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling prffti.F... -Compiling chk3d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling prffti.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling chk3d.F... Compiling mfftc1.F... +Compiling mfftr1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mfftr1.F... -Compiling mcfftr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mrfftr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pfft1i.F... +Compiling mcfftr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mrfftr.F... +Compiling pfft1i.F... Compiling pfft1.F... -Compiling wrkspc2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling wrkspc2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -53149,20 +53106,19 @@ Compiling ana_chgdst.F... Compiling ana_data.F... Compiling ana_define.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ana_diel.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ana_esppt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ana_diel.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ana_finish.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ana_esppt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -53171,9 +53127,9 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ana_finish.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ana_groups.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -53183,17 +53139,18 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ana_groups.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ana_hbond.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ana_hbond.F... Compiling ana_index.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -53209,8 +53166,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_inirms.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ana_initx.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -53219,6 +53176,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ana_pltgrd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -53238,32 +53196,32 @@ 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_pltgrd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_rama.F... -Compiling ana_rdhdr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ana_rdhdr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ana_rdf.F... +Compiling ana_rdfram.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ana_rdfram.F... +Compiling ana_rdref.F... +Compiling ana_rdtop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ana_rdref.F... ana_pltgrd.F:159:29: 157 | call ga_brdcst(mag_d01,x,3*nsa*ma_sizeof(mt_dbl,1,mt_byte),0) @@ -53276,21 +53234,23 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ana_rdtop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ana_rmsdev.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ana_rdfram.F:194:29: 193 | call ga_brdcst(mag_d03,succes,ma_sizeof(mt_log,1,mt_byte),0) @@ -53298,61 +53258,47 @@ 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_rmsdev.F... Compiling ana_rtdbin.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 f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ana_select.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ana_sizref.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ana_select.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ana_tag.F... +Compiling ana_sizref.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 f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ana_tag.F... Compiling ana_task.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ana_torsion.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(*)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ana_torsion.F... Compiling ana_wtfram.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -53367,7 +53313,18 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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_wrtxyz.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -53383,6 +53340,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling analyz.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ana_task.F:1004:72: 1004 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) @@ -53398,11 +53360,6 @@ 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 analyz.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ana_groups.F:431:72: 431 | xa(1)=xa(1)+x(ia,1) @@ -53709,19 +53666,18 @@ Compiling cf_finish.F... Compiling cf_forces.F... Compiling cf_forcep.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling cf_hopping.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cf_induce.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling cf_induce.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling cf_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -53732,50 +53688,46 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cf_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cf_list.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cf_main.F... +Compiling cf_list.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cf_main.F... +Compiling cf_pairs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cf_pairs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cf_pbc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cf_pbc.F... Compiling cf_rdgeom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling cf_shake.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cf_rdgeom.F:162:28: @@ -53786,6 +53738,11 @@ 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... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cf_grid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -53797,6 +53754,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cf_uhop.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] cf_rdtop.F:356:28: 321 | call ga_brdcst(mcf_01,idata,20*numbi,0) @@ -53813,7 +53774,9 @@ 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 pme_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling pme_fft.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -53841,12 +53804,6 @@ 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) -Compiling pme_init.F... -Compiling pme_fft.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -54289,34 +54246,42 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/drdy' Compiling atsym.F... Compiling drdy.F... +Compiling drdy_input.F... +Compiling Input_for_drdy.F... +Compiling drdy_synch.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling read_drdy_rtdb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling drdy_input.F... +Compiling rgener.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ratoms.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling Input_for_drdy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling drdy_synch.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling read_drdy_rtdb.F... -Compiling rgener.F... -Compiling ratoms.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rstat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rstat.F... +Compiling rpath.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -54325,14 +54290,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rgeom.F... +Compiling rgsad.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rpath.F... drdy_input.F:113:55: 110 | if (.not. rtdb_put(rtdb,'drdy:autosym',mt_log,1,oautosym)) @@ -54345,24 +54312,13 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rgeom.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rphwrt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rgsad.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling drdy_sort.F... Compiling react.F... -Compiling potset_nwchem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -54371,44 +54327,41 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling potset_nwchem.F... +Compiling trans.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling trans.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tranf.F... -Compiling drdy_center.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rotx.F... -Compiling moiten.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling drdy_center.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling rotx.F... +Compiling moiten.F... +Compiling pot2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pot2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling rotmat.F... Compiling rotg.F... +Compiling rotmat.F... Compiling rotf.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -54417,36 +54370,36 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling drdy_nwc_get.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling react2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling drdy_nwc_get.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling saddle.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling react2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling setpth.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling saddle.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling setpth.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling diagf.F... -Compiling pmlqsp.F... drdy_nwc_get.F:24:55: 16 | if (.not.rtdb_get(rtdb,'task:status', mt_log, 1, task_status)) @@ -54457,9 +54410,12 @@ Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling diagf.F... +Compiling pmlqsp.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mxlneq.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -54474,11 +54430,12 @@ 12 | Integer i,ierr,ilrg | ^ note: 'ilrg' was declared here +Compiling mxlneq.F... +Compiling pmclqa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pmclqa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -54489,41 +54446,32 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pot1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling euler.F... +Compiling pot1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling euler.F... +Compiling pmlqa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pmlqa.F... -Compiling dsdt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dsdt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling rsp.F... Compiling pmcube.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling fdiag.F... pmlqa.F:89:72: 89 | t = t - (dels-s)*delt/(slast-s) @@ -54538,43 +54486,43 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling fdiag.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling potsp.F... -Compiling projct.F... -Compiling pythag.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling getstr.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling projct.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling pythag.F... +Compiling getstr.F... Compiling io.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -rsp.F:311:16: - - 311 | IF (E2(M) .LE. C) GO TO 120 - | ^ -Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] -rsp.F:308:10: - - 308 | C = B * B - | ^ -note: 'c' was declared here Compiling sumout.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling wfiles.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wfiles.F... +Compiling nwc_gen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -54583,7 +54531,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling nwc_gen.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -54604,6 +54551,16 @@ 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) +rsp.F:311:16: + + 311 | IF (E2(M) .LE. C) GO TO 120 + | ^ +Warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] +rsp.F:308:10: + + 308 | C = B * B + | ^ +note: 'c' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/drdy' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libdrdy.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/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 @@ -54704,30 +54661,26 @@ Compiling task_qmmm_gradient.F... Compiling mm_interface.F... Compiling qmmm_link.F... -Compiling qmmm_data.F... Compiling qmmm_lbfgsb.F... +Compiling qmmm_data.F... +Compiling qmmm_utils.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling task_qmmm_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmmm_utils.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task_qmmm_energy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -54741,21 +54694,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmmm_check_forces.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmmm_bq.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qmmm_check_forces.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmmm_esp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qmmm_bq.F... +Compiling qmmm_esp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -54773,6 +54726,10 @@ 322 | + call errquit( pname//'Failed to deallocate memory') | 1 Warning: Missing actual argument for argument '_formal_6' at (1) +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmmm_main.F:72:54: 42 | if (.not. rtdb_get(inrtdb,'qmmm:init',mt_log,1,qmmm_init)) @@ -54781,33 +54738,6 @@ 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)). -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_cons.F... -Compiling qmmm_geom.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmmm_bq.F:66:34: 42 | > mt_dbl,3*n,c)) @@ -54816,10 +54746,14 @@ 66 | > mt_int,1,0)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). task_qmmm_gradient.F:283:50: 126 | $ numerical)) numerical = .false. @@ -54844,35 +54778,48 @@ 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 qmmm_bq_data.F... +Compiling qmmm_cons.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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 task_qmmm_optimize.F... +Compiling qmmm_geom.F... +Compiling qmmm_bq_data.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task_qmmm_dynamics.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmmm_output.F... -Compiling mm_utils.F... +Compiling task_qmmm_optimize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling task_qmmm_dynamics.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -54893,6 +54840,7 @@ 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_output.F... task_qmmm_dynamics.F:110:28: 102 | > mt_int,1,nregion)) @@ -54909,6 +54857,109 @@ 265 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). +Compiling mm_utils.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). +Compiling qmmm_input.F... +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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +task_qmmm_dynamics.F:152:21: + + 152 | logical status + | ^ +Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] +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)). +qmmm_esp.F:316:19: + + 316 | if(ofile.and.ga_nodeid().eq.0) then + | ^ +Warning: 'ofile' may be used uninitialized [-Wmaybe-uninitialized] +qmmm_esp.F:272:19: + + 272 | logical ofile + | ^ +note: 'ofile' was declared here +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... +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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmmm_cons.F:230:28: 89 | if (.not. rtdb_get(irtdb,'qmmm:fixsolvent',mt_log,1,fixw)) @@ -54917,11 +54968,16 @@ 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)). -task_qmmm_dynamics.F:152:21: +qmmm_esp.F:436:19: - 152 | logical status - | ^ -Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] + 436 | if(ofile.and.ga_nodeid().eq.0) then + | ^ +Warning: 'ofile' may be used uninitialized [-Wmaybe-uninitialized] +qmmm_esp.F:388:19: + + 388 | logical ofile + | ^ +note: 'ofile' was declared here qmmm_bq_data.F:66:26: 66 | call errquit(pname,"unknown option for charge expand",0,0) @@ -54960,6 +55016,16 @@ 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] +task_qmmm_energy.F:1671:72: + + 1671 | if(nregion.eq.0) return + | ^ +Warning: '__result_task_qmmm_energy_pes' may be used uninitialized [-Wmaybe-uninitialized] +task_qmmm_energy.F:1524:6: + + 1524 | function task_qmmm_energy_pes(irtdb) + | ^ +note: '__result_task_qmmm_energy_pes' was declared here qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ @@ -55015,16 +55081,6 @@ 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_cons.F:385:72: - - 385 | log_mb(i_maps+i-1) = flag - | ^ -Warning: 'flag' may be used uninitialized [-Wmaybe-uninitialized] -qmmm_cons.F:338:18: - - 338 | logical flag - | ^ -note: 'flag' was declared here qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ @@ -55095,31 +55151,59 @@ 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_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)). -qmmm_esp.F:182:36: +Compiling qmmm_property.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling task_qmmm_fep.F... +qmmm_pes.F:112:28: - 90 | if(.not.rtdb_put(rtdb,'esp:newgrd',mt_int,1,1)) - | 2 + 104 | + 1,ncycles)) + | 2 ...... - 182 | > mt_dbl,nqm,dbl_mb(i_q_qm))) - | 1 + 112 | + 2,rb)) + | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). -qmmm_esp.F:605:34: +task_qmmm_optimize.F:654:21: - 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_input.F... + 654 | logical status + | ^ +Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +qmmm_cons.F:385:72: + + 385 | log_mb(i_maps+i-1) = flag + | ^ +Warning: 'flag' may be used uninitialized [-Wmaybe-uninitialized] +qmmm_cons.F:338:18: + + 338 | logical flag + | ^ +note: 'flag' was declared here +qmmm_pes.F:24:21: + + 24 | logical status + | ^ +Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] +Compiling task_qmmm_abc.F... +task_qmmm_optimize.F:422:72: + + 422 | return + | ^ +Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] +task_qmmm_optimize.F:365:21: + + 365 | logical status + | ^ +note: 'status' was declared here +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmmm_geom.F:703:28: 703 | > 0, @@ -55154,108 +55238,6 @@ 1085 | + call errquit('qmmm: Failed to print geometry',0) | 1 Warning: Missing actual argument for argument '_formal_4' at (1) -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmmm_pes.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -task_qmmm_energy.F:1671:72: - - 1671 | if(nregion.eq.0) return - | ^ -Warning: '__result_task_qmmm_energy_pes' may be used uninitialized [-Wmaybe-uninitialized] -task_qmmm_energy.F:1524:6: - - 1524 | function task_qmmm_energy_pes(irtdb) - | ^ -note: '__result_task_qmmm_energy_pes' was declared here -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) -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... -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_fep.F... -qmmm_esp.F:316:19: - - 316 | if(ofile.and.ga_nodeid().eq.0) then - | ^ -Warning: 'ofile' may be used uninitialized [-Wmaybe-uninitialized] -qmmm_esp.F:272:19: - - 272 | logical ofile - | ^ -note: 'ofile' was declared here -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -qmmm_pes.F:24:21: - - 24 | logical status - | ^ -Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] -Compiling task_qmmm_abc.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] task_qmmm_energy.F:1420:72: 1420 | if(nregion.eq.0) return @@ -55266,16 +55248,6 @@ 1273 | function task_qmmm_energy_pes0(irtdb) | ^ note: '__result_task_qmmm_energy_pes' was declared here -qmmm_esp.F:436:19: - - 436 | if(ofile.and.ga_nodeid().eq.0) then - | ^ -Warning: 'ofile' may be used uninitialized [-Wmaybe-uninitialized] -qmmm_esp.F:388:19: - - 388 | logical ofile - | ^ -note: 'ofile' was declared here task_qmmm_fep.F:1000:58: 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) @@ -55308,21 +55280,6 @@ 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_optimize.F:654:21: - - 654 | logical status - | ^ -Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] -task_qmmm_optimize.F:422:72: - - 422 | return - | ^ -Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] -task_qmmm_optimize.F:365:21: - - 365 | logical status - | ^ -note: 'status' was declared here task_qmmm_abc.F:355:34: 250 | > mt_dbl,1,eref)) then @@ -55449,21 +55406,25 @@ Compiling qmd_driver.F... Compiling qmd_main.F... Compiling qmd_input.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling qmd_start.F... +Compiling task_qmd.F... +Compiling qmd_nucl_dt2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling qmd_nucl_dt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task_qmd.F... -Compiling qmd_nucl_dt2.F... +Compiling qmd_gradient.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qmd_geom_store.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qmd_thermostat.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -55476,18 +55437,19 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmd_nucl_dt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling qmd_gradient.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmd_geom_store.F... -Compiling qmd_thermostat.F... +Compiling qmd_kinetic.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -55500,7 +55462,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmd_kinetic.F... qmd_driver.F:135:55: 132 | if(.not.rtdb_get(rtdb,'qmd:cavity',mt_log,1,do_cavity)) @@ -55509,10 +55470,6 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmd_gradient.F:43:51: 41 | if(.not.rtdb_get(rtdb,'task:gradient',mt_dbl,3*nat,g)) @@ -55534,6 +55491,15 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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_write_rst.F... qmd_input.F:67:55: 62 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) @@ -55550,9 +55516,8 @@ 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_write_rst.F... -Compiling qmd_ran1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling qmd_ran1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -55560,86 +55525,78 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_gasdev.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling qmd_randomize.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmd_randomize.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling qmd_nucl_pos.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmd_nucl_vel.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qmd_nucl_vel.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_read_rst.F... -Compiling qmd_gamdev.F... -Compiling qmd_sumno.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling qmd_fix_momentum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qmd_gamdev.F... +Compiling qmd_sumno.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmd_freeze_inactive.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qmd_fix_momentum.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qmd_freeze_inactive.F... Compiling qmd_cavity.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_energy.F... +Compiling qmd_coup.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmd_move_civecs.F... -Compiling qmd_coup.F... -Compiling qmd_elec_prop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling qmd_move_civecs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qmd_elec_prop.F... +Compiling qmd_tdks_enmo.F... +Compiling qmd_tddft_enmo.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmd_tdks_enmo.F... -Compiling qmd_tddft_enmo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -55649,11 +55606,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling qmd_namd_init.F... +Compiling qmd_namd_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmd_namd_input.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qmd_set_den.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -55682,19 +55644,6 @@ 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)). -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_set_den.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] qmd_namd_input.F:46:52: 41 | if (.not.rtdb_put(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) @@ -55703,12 +55652,20 @@ 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)). +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_coords_vels.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling qmd_civecs_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling qmd_civecs_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -55742,8 +55699,6 @@ Compiling et_2e.F... Compiling et_movecs_read.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling et_vectors_inp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -55751,32 +55706,32 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling et_fock.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling et_dens_prod.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling et_omega2_mult.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling et_fock.F... -Compiling et_omega2_mult.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling et_dens_prod.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -55784,8 +55739,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -55826,14 +55783,14 @@ Compiling tce_input.F... Compiling tce_init.F... Compiling tce_energy.F... -Making all in include Compiling tce_energy_fragment.F... -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce' +Making all in include f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/include' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce' +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/include' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56068,17 +56025,20 @@ Compiling tce_tile.F... Compiling tce_ao1e.F... Compiling tce_mo1e.F... +Compiling tce_ao2e.F... +Compiling tce_filename.F... +Compiling createfile.F... +Compiling deletefile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling reconcilefile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_ao2e.F... -Compiling tce_filename.F... +Compiling dratoga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling createfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56087,7 +56047,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling deletefile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56095,13 +56054,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling reconcilefile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dratoga.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56110,6 +56067,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling gatodra.F... tce_tile.F:207:50: 175 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then @@ -56118,12 +56076,15 @@ 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)). -Compiling gatodra.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling gatoeaf.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] deletefile.F:131:12: 131 | if (j.lt.nfiles) then @@ -56135,6 +56096,7 @@ | ^ note: 'j' was declared here Compiling get_block.F... +Compiling put_block.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56143,27 +56105,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling put_block.F... +Compiling add_block.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling add_block.F... Compiling tce_tidy.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling sf_test.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -get_block.F:21:17: - - 21 | integer i,j - | ^ -Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] -Compiling sf_test.F... Compiling hbar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -56179,35 +56135,36 @@ 21 | integer i,j | ^ note: 'j' was declared here -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +get_block.F:21:17: + + 21 | integer i,j + | ^ +Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] Compiling tce_mo2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +add_block.F:29:17: + + 29 | integer i,j + | ^ +Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] Compiling tce_mo1e_offset.F... -Compiling tce_mo2e_offset.F... -Compiling tce_e_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling tce_mo2e_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_e_offset.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -add_block.F:29:17: - - 29 | integer i,j - | ^ -Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] Compiling tce_guess_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -56219,16 +56176,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_zero.F... +Compiling tce_print_x1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_print_x1.F... -Compiling tce_print_x2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_print_x2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56269,21 +56226,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ma_scale.F... -Compiling copyfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling copyfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ddotfile.F... -Compiling daxfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling daxfile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56298,16 +56255,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_aod1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling tce_nud1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_tile.F:357:72: 357 | oatiles(1)=nblocks_a @@ -56318,21 +56265,27 @@ 68 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here -Compiling tce_mod1.F... +Compiling tce_aod1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mod1_offset.F... +Compiling tce_nud1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling sym_abelian_axis.F... +Compiling tce_mod1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_mod1_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling sym_abelian_axis.F... Compiling tce_mod1_new.F... Compiling tce_mod1_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56343,13 +56296,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_eom_init.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_eom_tidy.F... -Compiling tce_eom_xdiagon.F... +Compiling tce_eom_init.F... tce_mod1_new.F:173:24: 89 | if (debugprint) call ga_print(g_aod1) @@ -56362,13 +56313,19 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_eom_ydiagon.F... +Compiling tce_eom_tidy.F... +Compiling tce_eom_xdiagon.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_eom_ydiagon.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_t1_offset.F... @@ -56382,23 +56339,23 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_t3_offset.F... -Compiling tce_t4_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_t4_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_x1_offset.F... +Compiling tce_x2_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_x2_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_x3_offset.F... @@ -56407,11 +56364,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_x4_offset.F... +Compiling tce_y1_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_y1_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56452,18 +56409,17 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_hash_block.F... -Compiling add_hash_block.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling add_hash_block.F... +Compiling tce_residual_t3a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_residual_t3a.F... Compiling tce_t3a_offset.F... -Compiling tce_x3a_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56472,11 +56428,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_cholesky.F... +Compiling tce_x3a_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_cholesky.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56486,7 +56443,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_ao2e_cholesky_2d.F... tce_cholesky.F:58:53: 50 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then @@ -56495,6 +56451,7 @@ 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_2d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56505,26 +56462,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling e2_offset_2_offset.F... +Compiling get_block_ind.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling get_block_ind.F... -Compiling get_block_ind_sf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_hash_ind.F... -Compiling tce_mo2e_offset_intorb.F... +Compiling get_block_ind_sf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_hash_ind.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_mo2e_offset_intorb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56545,22 +56502,17 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_zones_4a_disk_ga.F... -Compiling tce_mo2e_zones_4a_disk_ga_chop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_mo2e_zones_4a_disk_ga_chop.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_zones_4a_disk_2s_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling tce_restart.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -56624,6 +56576,11 @@ 59 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here +Compiling tce_restart.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_mo2e_offset_intorb.F:141:72: 141 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a @@ -56739,6 +56696,16 @@ 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here +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 tce_mo2e_offset_intorb.F:597:72: 597 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a @@ -56789,16 +56756,6 @@ 471 | INTEGER size_last | ^ note: 'size_last' was declared here -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_restart_quadruples.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -56809,6 +56766,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/include' +make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/include' +Making all in diis +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' Compiling tce_dens_hp_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -56855,11 +56816,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ao_rdm_write.F... -Compiling tce_prop_start.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_prop_start.F... Compiling tce_property.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -56875,11 +56836,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_fourindex_driver.F... +Compiling tce_fock_create.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_fock_create.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56895,15 +56856,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_fourindex_cleanup.F... -make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/include' -make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/include' -Making all in diis -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_fock_destroy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56916,6 +56868,11 @@ 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_fock_destroy.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_multipole_destroy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -56928,7 +56885,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_create_t2.F... Compiling tce_create_t3.F... -Compiling tce_create_t4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56937,6 +56893,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_create_t4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -56947,15 +56904,15 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_create_x2.F... +Compiling tce_create_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_create_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling tce_create_x4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling tce_create_x4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -56977,32 +56934,36 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_create_y4.F... +Compiling tce_clone_x1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_clone_x1.F... Compiling tce_clone_x2.F... Compiling tce_clone_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_clone_x4.F... +Compiling tce_clone_y1.F... +Compiling tce_clone_y2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling tce_clone_y1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_clone_y2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57013,6 +56974,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_clone_y4.F... +Compiling tce_t1_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57021,47 +56983,42 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_t1_offset_new.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_t2_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_t3_offset_new.F... +Compiling tce_t4_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_t4_offset_new.F... -Compiling tce_x1_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_x1_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_x2_offset_new.F... +Compiling tce_x3_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_x3_offset_new.F... -Compiling tce_x4_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_y1_offset_new.F... +Compiling tce_x4_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_y1_offset_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57081,37 +57038,37 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_ccsdt_driver.F... Compiling tce_ccsd_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_ccsdt_driver.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsdtq_driver.F... -Compiling tce_ccsd_perturbative.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_ccsd_lambda_perturbative.F... +Compiling tce_ccsd_perturbative.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_ccsd_lambda_perturbative.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsd_lambda_driver.F... +Compiling tce_ccsdt_lambda_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_ccsdt_lambda_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57133,20 +57090,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsdtq_response_driver.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling tce_ccsd_symm_polar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_ccsd_symm_polar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsdt_symm_polar.F... -Compiling tce_ccsdtq_symm_polar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_ccsdtq_symm_polar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57161,42 +57118,43 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' Compiling tce_ccsd_hyperpolar.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ao2e_new.F... +Compiling tce_mo2e_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mo2e_new.F... -Compiling tce_tile_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_tile_new.F... +Compiling tce_init_new.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mo2e_zones_4a_disk_4s_new_patch.F... -Compiling tce_init_new.F... -Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_mo2e_zones_4a_disk_4s_new_patch.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... +Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57206,14 +57164,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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)). +Compiling tce_mo2e_disk.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] tce_init_new.F:121:51: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then @@ -57230,6 +57182,9 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_init_new.F:335:59: 191 | if (.not.rtdb_put(rtdb,'tce:thresh',mt_dbl,1,thresh)) @@ -57254,12 +57209,20 @@ 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) -Compiling tce_mo2e_disk.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)). +Compiling tce_mo2e_disk_2eorb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mo2e_disk_2eorb.F... +Compiling tce_mo2e_incore_2eorb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57274,11 +57237,12 @@ 387 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here -Compiling tce_mo2e_incore_2eorb.F... +Compiling tce_mo2e_incore_2eorb_split.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_mo2e_hybrid_2eorb_split.F... tce_init_new.F:602:10: 602 | if (rohf) nmo(2) = nmo(1) @@ -57289,17 +57253,16 @@ 42 | logical rohf | ^ note: 'rohf' was declared here -Compiling tce_mo2e_incore_2eorb_split.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mo2e_hybrid_2eorb_split.F... +Compiling tce_mo2e_offset_intorb_hybrid.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mo2e_offset_intorb_hybrid.F... +Compiling tce_mo2e_2emet3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57314,18 +57277,11 @@ 686 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here -Compiling tce_mo2e_2emet3.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_2emet3_n5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mo2e_2emet4.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] tce_mo2e_2emet3.F:572:72: 572 | key_end(i)=ibuba @@ -57336,6 +57292,8 @@ 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here +Compiling tce_mo2e_2emet4.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -57359,11 +57317,6 @@ 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here -Compiling tce_mo2e_2emet4_n5.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then @@ -57384,6 +57337,7 @@ 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here +Compiling tce_mo2e_2emet4_n5.F... tce_mo2e_2emet3_n5.F:602:72: 602 | key_end(i)=ibuba @@ -57394,26 +57348,10 @@ 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here -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 -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 +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_mo2e_hybrid_2eorb_split.F:262:11: 262 | if(size_4af.le.size_max2) then @@ -57434,6 +57372,26 @@ 97 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here +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 +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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -57465,14 +57423,13 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_dgeev.F... -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' Compiling tce_schmidt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_dgeev.F:402:72: @@ -57490,6 +57447,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_diis_act.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_mo2e_zones_4a_disk_ga_act.F... tensor_read_write.F:129:39: 95 | k = eaf_write(unitn, offset, max_ioprocs, @@ -57506,12 +57469,6 @@ 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... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mo2e_zones_4a_disk_ga_act.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57527,27 +57484,27 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_x2a_offset.F... -Compiling new_ga4ind_N5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling new_ga4ind_N5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling new4ind_N5_osu.F... +Compiling tce_mo2e_zones_4a_disk_ga_N5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mo2e_zones_4a_disk_ga_N5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mo2e_zones_4a_disk_ga_chop_N5.F... -Compiling tce_eom_xguess.F... +Compiling tce_diis.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57556,12 +57513,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_eom_yguess.F... +Compiling tce_eom_xguess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ma_transpose.F... +Compiling tce_eom_yguess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57581,72 +57538,52 @@ 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here -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 -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 -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_diis.F... -Compiling tce_diis_init.F... -Compiling tce_diis_switch.F... -Compiling tce_diis_tidy.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ma_transpose.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_diis_init.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_diis_switch.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_diis_tidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_t1.F... +Compiling tce_jacobi_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_jacobi_t2.F... -Compiling tce_jacobi_t3.F... -Compiling tce_jacobi_t4.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +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 f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_jacobi_t3.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_jacobi_t4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57667,31 +57604,51 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_l4.F... +Compiling tce_jacobi_x1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_jacobi_x1.F... -Compiling tce_jacobi_x2.F... -Compiling tce_jacobi_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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_jacobi_x2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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_jacobi_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_x4.F... -Compiling tce_jacobi_y1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_jacobi_y1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57712,23 +57669,22 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_t3a.F... +Compiling tce_jacobi_x3a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_jacobi_x3a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling t2_2_y2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling t2_2_y2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' -make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/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: creating /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.a @@ -57738,6 +57694,7 @@ make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis' Making all in diis2 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis2' +make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/diis2' Compiling tce_diis2.F... Compiling tce_jacobi_tr1.F... @@ -57746,13 +57703,12 @@ Compiling tce_jacobi_tr4.F... Compiling tce_jacobi_lr1.F... Compiling tce_jacobi_lr2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling tce_jacobi_lr3.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_jacobi_lr4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57771,7 +57727,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_jacobi_lr4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57779,8 +57734,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -57802,6 +57759,7 @@ Compiling ccsd_1pdm_hh_mo.F... Compiling ccsd_1pdm_pp_mo.F... Compiling ccsd_1pdm_hp_mo.F... +Compiling ccsd_1pdm_ph_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57810,16 +57768,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_1pdm_ph_mo.F... +Compiling ccsd_2pdm_hhhh_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_2pdm_hhhp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_2pdm_hhhh_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57832,7 +57790,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_2pdm_hhhp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57841,16 +57798,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_2pdm_hhpp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_2pdm_hphh_mo.F... +Compiling ccsd_2pdm_hhpp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_2pdm_hphh_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57902,11 +57859,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_a_b_a.F... -Compiling zvec_x_a_b_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling zvec_x_a_b_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57942,26 +57899,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_a_f_b.F... +Compiling zvec_x_b_a_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zvec_x_b_a_a.F... -Compiling zvec_x_b_a_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling zvec_x_b_a_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_b_b_a.F... +Compiling zvec_x_b_b_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zvec_x_b_b_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -57977,21 +57934,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling zvec_x_b_d_b.F... +Compiling zvec_x_b_e_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling zvec_x_b_e_a.F... -Compiling zvec_x_b_e_b.F... -Compiling zvec_x_b_f.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling zvec_x_b_e_b.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling zvec_x_b_f.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58017,16 +57974,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_b_a_a.F... -Compiling wdm_hh_mo_b_b_a.F... -Compiling wdm_hh_mo_b_a_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling wdm_hh_mo_b_a_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling wdm_hh_mo_b_b_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58037,21 +57994,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_c_a.F... -Compiling wdm_hh_mo_c_b_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling wdm_hh_mo_c_b_a.F... +Compiling wdm_hh_mo_c_b_b.F... +Compiling wdm_hh_mo_c_c_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wdm_hh_mo_c_b_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wdm_hh_mo_c_c_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58062,11 +58019,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_c_d.F... +Compiling wdm_hh_mo_c_e_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wdm_hh_mo_c_e_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58077,31 +58034,31 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hh_mo_c_f_a.F... -Compiling wdm_hh_mo_c_f_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wdm_hh_mo_d.F... +Compiling wdm_hh_mo_c_f_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling wdm_hh_mo_d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hp_mo_a.F... +Compiling wdm_hp_mo_b_a_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wdm_hp_mo_b_a_a.F... -Compiling wdm_hp_mo_b_a_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling wdm_hp_mo_b_a_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58112,12 +58069,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hp_mo_b_b_b.F... -Compiling wdm_hp_mo_b_c.F... -Compiling wdm_hp_mo_b_d_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling wdm_hp_mo_b_c.F... +Compiling wdm_hp_mo_b_d_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58137,11 +58094,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_hp_mo_b_e_b.F... +Compiling wdm_hp_mo_b_f.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wdm_hp_mo_b_f.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58152,51 +58109,51 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_pp_mo_a.F... +Compiling wdm_pp_mo_b_a_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wdm_pp_mo_b_a_a.F... -Compiling wdm_pp_mo_b_a_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling wdm_pp_mo_b_b_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wdm_pp_mo_b_b_b.F... +Compiling wdm_pp_mo_b_a_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling wdm_pp_mo_b_b_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling wdm_pp_mo_b_b_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_pp_mo_b_c.F... +Compiling wdm_pp_mo_b_d_a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wdm_pp_mo_b_d_a.F... +Compiling wdm_pp_mo_b_d_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wdm_pp_mo_b_d_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling wdm_pp_mo_b_e_a.F... +Compiling wdm_pp_mo_b_e_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling wdm_pp_mo_b_e_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58208,7 +58165,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_grad_tidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_ccsd_1prdm.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -58217,11 +58178,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_dens_hhhp_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_dens_hhhp_offset.F... Compiling tce_dens_hhpp_offset.F... Compiling tce_dens_hphh_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58238,6 +58199,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_dens_hppp_offset.F... +Compiling tce_dens_pphh_offset.F... +Compiling tce_dens_pphp_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58246,22 +58209,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_dens_pphh_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling tce_dens_pphp_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_dens_pppp_offset.F... -Compiling tce_zvec_x1_offset.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_zvec_x1_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58272,11 +58229,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_2pdm_hhhh.F... -Compiling put_2pdm_hhhp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling put_2pdm_hhhp.F... Compiling put_2pdm_hhpp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -58302,21 +58259,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_2pdm_pphh.F... -Compiling put_2pdm_pphp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling put_2pdm_pphp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_2pdm_pppp.F... -Compiling tce_1pdm_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_1pdm_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58327,11 +58284,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling put_1pdm_hp.F... -Compiling put_1pdm_ph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling put_1pdm_ph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58343,10 +58300,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling put_1pwdm_hp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling put_1pwdm_hp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58358,27 +58315,27 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling btrans1.F... Compiling ao_1prdm_write.F... -Compiling tce_gradients_doit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_gradients_doit.F... +Compiling tce_grad_force.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_grad_force.F... -Compiling tce_grad1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_grad2.F... +Compiling tce_grad1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling tce_grad2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -58389,19 +58346,29 @@ Compiling sym_2pdm_ao.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling btrans2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling btrans2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_energy.F... +Compiling eomccsd_left.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsd_left.F... +Compiling eomccsd_gradients.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsd_1pdm_hh_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58414,21 +58381,11 @@ 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 eomccsd_gradients.F... -Compiling eomccsd_1pdm_hh_mo.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsd_1pdm_pp_mo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_eomccsd_1prdm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -58538,55 +58495,55 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_1prdm.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsd_1prdm_hh.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_1prdm_hp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_1prdm_hh.F... +Compiling ccsd_1prdm_ph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_1prdm_pp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling icsd_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_1prdm_hp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_1prdm_ph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsd_1prdm_pp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling icsd_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling icsd_t2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling icsd_t2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -58660,15 +58617,18 @@ Compiling eomccsd_x1.F... Compiling eomccsd_x2.F... Compiling eomccsd_y1.F... +Compiling eomccsd_y2.F... +Compiling eomccsd_density1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsd_denominator.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsd_y2.F... +Compiling cc2_x1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58677,14 +58637,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsd_denominator.F... -Compiling eomccsd_density1.F... +Compiling cc2_x2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cc2_x1.F... -Compiling cc2_x2.F... Compiling eomccsd_1prdm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -58698,17 +58655,17 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsd_1prdm_hh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsd_1prdm_hh.F... Compiling eomccsd_1prdm_hp.F... +Compiling eomccsd_1prdm_ph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsd_1prdm_ph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58754,6 +58711,7 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_t' Compiling cr_ccsd_t.F... Compiling lr_ccsd_t.F... +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_t' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -58762,7 +58720,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_t' cr_ccsd_t.F:79:72: 79 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) @@ -58785,63 +58742,63 @@ note: 'k_den' declared here 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_t_singles.F... +Compiling ccsd_t_doubles_l.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling lambda_ccsd_t.F... +Compiling ccsd_t_singles_l.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling lambda_ccsd_t_left.F... +Compiling ccsd2_t.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd2_t_left.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_t_doubles_l.F... +Compiling ccsd2_q.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsd_t_singles_l.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd2_t.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd2_t_left.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd2_q.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd2_q_left.F... +Compiling ccsd2_q_right.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd2_q_right.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ccsd2_q.F:55:72: @@ -58858,51 +58815,47 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -ccsdt2_q.F:77:72: +ccsd2_t.F:75:72: - 77 | 7 t_p5b,t_p6b,t_p7b,t_p8b,1) + 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] -ccsdt2_q.F:42:21: +ccsd2_t.F:35:21: - 42 | integer k_right,l_right + 35 | integer k_right,l_right | ^ note: 'k_right' declared here -ccsd2_q.F:58:72: +ccsd2_t.F:80:72: - 58 | 2 t_p5b,t_p6b,t_p7b,t_p8b,1) + 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_q.F:33:20: +ccsd2_t.F:36:20: - 33 | integer k_left,l_left + 36 | integer k_left,l_left | ^ note: 'k_left' declared here -ccsd2_t.F:75:72: +ccsdt2_q.F:77:72: - 75 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 77 | 7 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_right' is used uninitialized [-Wuninitialized] -ccsd2_t.F:35:21: +ccsdt2_q.F:42:21: - 35 | integer k_right,l_right + 42 | integer k_right,l_right | ^ note: 'k_right' declared here -ccsd2_t.F:80:72: +ccsd2_q.F:58:72: - 80 | 4 l_i1_offset_5,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 58 | 2 t_p5b,t_p6b,t_p7b,t_p8b,1) | ^ Warning: 'k_left' is used uninitialized [-Wuninitialized] -ccsd2_t.F:36:20: +ccsd2_q.F:33:20: - 36 | integer k_left,l_left + 33 | integer k_left,l_left | ^ note: 'k_left' declared here Compiling ccsdt2_q_left.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] ccsdt2_q.F:83:72: 83 | 5 t_p5b,t_p6b,t_p7b,t_p8b,1) @@ -58913,16 +58866,20 @@ 43 | integer k_left,l_left | ^ note: 'k_left' declared here -Compiling ccsdt2_q_right.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt2_q_right.F... Compiling cr_ccsd_t_D.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_ccsd_t_E.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -58969,11 +58926,6 @@ 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... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] 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) @@ -58994,8 +58946,8 @@ 222 | integer k_denom,l_denom | ^ note: 'k_denom' declared here +Compiling ccsd_t_6dts.F... Compiling ccsd_t_singles_l_6dts.F... -Compiling ccsd_t_doubles_l_6dts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -59004,16 +58956,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_t_dts_kernels_omp.F... +Compiling ccsd_t_doubles_l_6dts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_t_dts_kernels_omp.F... Compiling ccsd_t_transpose.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offl_ccsd_t_doubles_l.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -59057,36 +59014,32 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cr-eomccsd_t' Compiling c1_c1.F... Compiling c2_c2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t.F... +Compiling cr_eomccsd_t_gr.F... +Compiling t2t12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_gr.F... +Compiling nr0.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling c1excit2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling t2t12.F... -Compiling nr0.F... +Compiling c2excit2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling c1excit2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling c2excit2.F... Compiling q3rexpt2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -59098,12 +59051,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_s_m3.F... Compiling cr_eomccsd_t_n2.F... +Compiling cr_eomccsd_t_n2_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -59137,9 +59094,6 @@ note: 'k_den0' declared here Compiling cr_eomccsd_t_n2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] 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) @@ -59160,6 +59114,9 @@ 85 | integer k_left,l_left | ^ note: 'k_left' declared here +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -59173,10 +59130,10 @@ Compiling offset_cr_eomccsd_t_n2_1_1_1.F... Compiling cr_eomccsd_t_n2_1_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -59192,30 +59149,30 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_1_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_1_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_1_1_3.F... -Compiling cr_eomccsd_t_n2_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_1_2.F... +Compiling cr_eomccsd_t_n2_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_3_1.F... +Compiling offset_cr_eomccsd_t_n2_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_cr_eomccsd_t_n2_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -59231,18 +59188,18 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_1_3_2_1.F... +Compiling cr_eomccsd_t_n2_1_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_1_3_3.F... Compiling cr_eomccsd_t_n2_1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -59251,31 +59208,31 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_1_4_1.F... -Compiling cr_eomccsd_t_n2_1_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_1_5_1.F... +Compiling cr_eomccsd_t_n2_1_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_1_5_1.F... +Compiling offset_cr_eomccsd_t_n2_1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_cr_eomccsd_t_n2_1_5_1.F... -Compiling cr_eomccsd_t_n2_1_6.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_1_6.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_1_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_1_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -59286,21 +59243,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_7.F... -Compiling cr_eomccsd_t_n2_1_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_cr_eomccsd_t_n2_1_7_1.F... +Compiling cr_eomccsd_t_n2_1_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling offset_cr_eomccsd_t_n2_1_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_1_7_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_1_7_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -59316,35 +59273,31 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_1_8_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_8_2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_1_9.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_cr_eomccsd_t_n2_2_1.F... +Compiling cr_eomccsd_t_n2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_cr_eomccsd_t_n2_2_1.F... Compiling cr_eomccsd_t_n2_2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -59357,60 +59310,64 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_2_1_3.F... -Compiling cr_eomccsd_t_n2_2_1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_3.F... +Compiling cr_eomccsd_t_n2_2_1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_3_1.F... -Compiling offset_cr_eomccsd_t_n2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_cr_eomccsd_t_n2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_3_2.F... +Compiling cr_eomccsd_t_n2_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_3_2_1.F... -Compiling cr_eomccsd_t_n2_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_3_3_1.F... +Compiling offset_cr_eomccsd_t_n2_3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_cr_eomccsd_t_n2_3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -59421,36 +59378,36 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_3_4.F... -Compiling cr_eomccsd_t_n2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_4.F... +Compiling cr_eomccsd_t_n2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_4_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_4_1_1.F... +Compiling offset_cr_eomccsd_t_n2_4_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_cr_eomccsd_t_n2_4_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_4_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_4_1_2.F... Compiling cr_eomccsd_t_n2_4_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -59463,19 +59420,19 @@ Compiling offset_cr_eomccsd_t_n2_4_1_2_1.F... Compiling cr_eomccsd_t_n2_4_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_4_1_3_1.F... +Compiling offset_cr_eomccsd_t_n2_4_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_cr_eomccsd_t_n2_4_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -59486,36 +59443,36 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_4_2.F... -Compiling cr_eomccsd_t_n2_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_cr_eomccsd_t_n2_4_2_1.F... +Compiling cr_eomccsd_t_n2_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_cr_eomccsd_t_n2_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_4_2_2.F... +Compiling cr_eomccsd_t_n2_4_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_4_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_4_2_2_1.F... -Compiling cr_eomccsd_t_n2_4_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_4_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -59527,17 +59484,17 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5.F... +Compiling cr_eomccsd_t_n2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_cr_eomccsd_t_n2_5_1.F... @@ -59551,51 +59508,51 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_2_1.F... -Compiling offset_cr_eomccsd_t_n2_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_cr_eomccsd_t_n2_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_2_2.F... -Compiling cr_eomccsd_t_n2_5_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_cr_eomccsd_t_n2_5_2_2_1.F... +Compiling cr_eomccsd_t_n2_5_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_cr_eomccsd_t_n2_5_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_2_2_2.F... -Compiling cr_eomccsd_t_n2_5_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_5_3.F... +Compiling cr_eomccsd_t_n2_5_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_5_3.F... Compiling cr_eomccsd_t_n2_5_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_cr_eomccsd_t_n2_5_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_cr_eomccsd_t_n2_5_3_1.F... Compiling cr_eomccsd_t_n2_5_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -59603,10 +59560,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -59625,8 +59582,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -59636,42 +59593,42 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_5_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_5_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_n2_5_6.F... Compiling cr_eomccsd_t_n2_6.F... -Compiling cr_eomccsd_t_n2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_cr_eomccsd_t_n2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_cr_eomccsd_t_n2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_6_3.F... -Compiling cr_eomccsd_t_n2_6_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -59686,41 +59643,41 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_t_n2_6_4.F... -Compiling creomccsd_t_n2_mem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling cr_eomccsd_t_n2_6_4.F... +Compiling creomccsd_t_n2_mem.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling q3rexpt2_6dts.F... +Compiling creomccsd_t_n2_mem_6dts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling creomccsd_t_n2_mem_6dts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling cr_eomccsd_t_6dts.F... -Compiling cr_ccsd_t_N_6dts.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_ccsd_t_E_6dts.F... +Compiling cr_ccsd_t_N_6dts.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_ccsd_t_E_6dts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -59782,11 +59739,11 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lrh' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lrh' Compiling tce_loc_j1.F... +Compiling tce_loc_j2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_loc_j2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -59854,13 +59811,13 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/emb' Compiling c1v.F... Compiling c2vt1_s.F... +Compiling emb1.F... +Compiling emb2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling emb1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling emb2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -59872,124 +59829,124 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -emb1.F:288:72: +emb2.F:295:72: - 288 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 295 | &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: +emb2.F:82:22: - 80 | integer k_right1,l_right1 !r0*M3(T1,T2) + 82 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here -emb1.F:303:72: +emb2.F:308:72: - 303 | &l_i2_offset_3,l_i2_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 308 | &t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] -emb1.F:81:22: +emb2.F:83:22: - 81 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) + 83 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here -emb1.F:312:72: +emb2.F:317:72: - 312 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 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] -emb1.F:79:19: +emb2.F:81:19: - 79 | integer k_den,l_den + 81 | integer k_den,l_den | ^ note: 'k_den' declared here -emb1.F:308:72: +emb2.F:313:72: - 308 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 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] -emb1.F:89:20: +emb2.F:92:20: - 89 | integer k_den0,l_den0 + 92 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here -emb1.F:321:72: +emb2.F:326:72: - 321 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 326 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] -emb1.F:126:20: +emb2.F:129:20: - 126 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe + 129 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here -emb1.F:336:72: +emb2.F:341:72: - 336 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 341 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] -emb1.F:128:25: +emb2.F:131:25: - 128 | integer l_c1v,k_c1v + 131 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here -emb2.F:295:72: +emb1.F:288:72: - 295 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 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] -emb2.F:82:22: +emb1.F:80:22: - 82 | integer k_right1,l_right1 !r0*M3(T1,T2) + 80 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here -emb2.F:308:72: +emb1.F:303:72: - 308 | &t_h3b,t_p4b,t_p5b,t_p6b,1) + 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] -emb2.F:83:22: +emb1.F:81:22: - 83 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) + 81 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here -emb2.F:317:72: +emb1.F:312:72: - 317 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 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] -emb2.F:81:19: +emb1.F:79:19: - 81 | integer k_den,l_den + 79 | integer k_den,l_den | ^ note: 'k_den' declared here -emb2.F:313:72: +emb1.F:308:72: - 313 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 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] -emb2.F:92:20: +emb1.F:89:20: - 92 | integer k_den0,l_den0 + 89 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here -emb2.F:326:72: +emb1.F:321:72: - 326 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 321 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] -emb2.F:129:20: +emb1.F:126:20: - 129 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe + 126 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here -emb2.F:341:72: +emb1.F:336:72: - 341 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 336 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] -emb2.F:131:25: +emb1.F:128:25: - 131 | integer l_c1v,k_c1v + 128 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/emb' @@ -60045,8 +60002,9 @@ Making all in lccsd make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccsd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/lccsd' -Compiling lccsd_t1.F... Compiling lccsd_e.F... +Compiling lccsd_t1.F... +Compiling lccsd_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60055,7 +60013,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling lccsd_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60072,12 +60029,12 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/qcisd' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/qcisd' Compiling qcisd_e.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling qcisd_t1.F... +Compiling qcisd_t2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qcisd_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60098,37 +60055,37 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cc3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cc3' Compiling cc3_t3.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt1b_t3.F... +Compiling ccsdt2_t3.F... +Compiling ccsdt3_t3.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt1_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt2_t3.F... -Compiling ccsdt3_t3.F... +Compiling eomcc3_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt3_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt1_x3.F... +Compiling cc3_lambda3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomcc3_x3.F... -Compiling eomccsdt3_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cc3_lambda3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60171,35 +60128,35 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt2' Compiling mbpt2_e.F... Compiling mbpt2_t1.F... +Compiling mbpt2_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mbpt2_t2_b.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling mbpt2_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mbpt2_t3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mbpt2_t2_b.F... -Compiling mbpt2_t3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mbpt2_t1_sd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mbpt2_t1_sd.F... +Compiling mbpt2_t2_sd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mbpt2_t2_sd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60217,17 +60174,18 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mbpt3' Compiling mbpt3_e.F... Compiling mbpt3_t1.F... +Compiling mbpt3_t2.F... +Compiling mbpt3_t1_sd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mbpt3_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling mbpt3_t2_sd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling mbpt3_t1_sd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -60235,7 +60193,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mbpt3_t2_sd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60269,21 +60226,21 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cis' Compiling cis.F... Compiling cis_x1.F... +Compiling cis_xdiagon.F... +Compiling cis_xtidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cis_xguess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cis_xdiagon.F... -Compiling cis_xtidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cis_xguess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60332,7 +60289,6 @@ Compiling cisdt_e.F... Compiling cisdt_c1.F... Compiling cisdt_c2.F... -Compiling cisdt_c3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60342,12 +60298,13 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cisdt_c3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdt' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/cisdt' @@ -60372,10 +60329,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -60399,11 +60356,11 @@ Compiling ccsd_ea.F... Compiling ccsd_t1a.F... Compiling ccsd_t2a.F... +Compiling activity.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling activity.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60466,30 +60423,30 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomccsd_tasim.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling cr_eomt_simac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_t_d_act.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling cr_eomccsd_tasim.F... -Compiling cr_eomt_simac.F... -Compiling ccsd_t_d_act.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -60547,17 +60504,13 @@ Compiling tce_sort_4kg.c... Compiling tce_sort0.F... Compiling tce_sortacc0.f... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling new_sort2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling new_sort4.F... -Compiling new_sort6.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling new_sort6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60577,6 +60530,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/sort' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/sort' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock @@ -60590,47 +60547,47 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ducc' gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT map_hcore.F gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT rot_vir.F +gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT ducc.F +gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hh.F +gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hp.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT ducc.F +gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT pp.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hh.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhhh.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hp.F +gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT pppp.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT pp.F +gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhhp.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT ppph.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhhh.F -gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT pppp.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhpp.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhhp.F -gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT ppph.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -gfortran -c -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -std=legacy -fdefault-integer-8 -fno-tree-dominator-opts -O2 -Wuninitialized -fno-aggressive-loop-optimizations -O3 -fno-tree-dominator-opts -fprefetch-loop-arrays -ftree-vectorize -ffast-math -I. -I../include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -I/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/include -I/usr/include -I/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi -I/usr/lib/aarch64-linux-gnu/openmpi/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DSCALAPACK -DPARALLEL_DIAG -DBLAS_NOTHREADS -DDEBUG_PRINT hhpp.F f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60660,26 +60617,26 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ucc4' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ucc4' Compiling ucc4_e_new.F... +Compiling ucc4_t1_new.F... +Compiling ucc4_t2.F... +Compiling ucc4_t2_t2_v_t.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ucc4_t1_new.F... +Compiling ucc4_t3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ucc4_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ucc4_t2_t2_v_t.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ucc4_t3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60697,31 +60654,33 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/eaccsd' Compiling eaccsd_x1.F... Compiling eaccsd_x2.F... +Compiling tce_print_eax1.F... +Compiling tce_print_eax2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_print_eax1.F... +Compiling tce_eax1_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_print_eax2.F... +Compiling tce_eax2_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_eom_eaxguess.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_eax1_offset.F... -Compiling tce_eax2_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling tce_jacobi_eax1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_eom_eaxguess.F... +Compiling tce_jacobi_eax2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60730,8 +60689,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_jacobi_eax1.F... -Compiling tce_jacobi_eax2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60753,22 +60710,18 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ipccsd' Compiling ipccsd_x1.F... Compiling ipccsd_x2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_print_ipx1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_print_ipx1.F... Compiling tce_print_ipx2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling tce_ipx1_offset.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -60778,7 +60731,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_eom_ipxguess.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_ipx1.F... +Compiling tce_jacobi_ipx2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60787,7 +60745,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_jacobi_ipx2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60809,10 +60766,6 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt' Compiling ccsdt_e.F... Compiling ccsdt_t1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -60820,46 +60773,50 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_t1a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t1a.F... Compiling ccsdt_t2a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a.F... +Compiling ccsdt_t3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3_1.F... +Compiling ccsdt_t3_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3_1_1.F... -Compiling OFFSET_ccsdt_t3_1_1.F... -Compiling ccsdt_t3_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_t3_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3_1_2_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -60878,16 +60835,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_2_2_1.F... -Compiling OFFSET_ccsdt_t3_1_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3_1_2_2_2.F... +Compiling OFFSET_ccsdt_t3_1_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3_1_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60898,26 +60855,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_3.F... +Compiling ccsdt_t3_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3_1_3_1.F... -Compiling OFFSET_ccsdt_t3_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_t3_1_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3_1_4.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_t3_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3_1_3_2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3_1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60943,10 +60900,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_5_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_1_5_1.F... Compiling ccsdt_t3_1_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60954,15 +60907,19 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_1_6.F... +Compiling ccsdt_t3_1_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3_1_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -60993,11 +60950,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_t3_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_t3_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61018,11 +60975,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61033,21 +60990,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_3_2.F... +Compiling ccsdt_t3_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_3_2_1.F... +Compiling ccsdt_t3_3_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3_3_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61063,41 +61020,41 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_4.F... -Compiling ccsdt_t3_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3_4_1.F... +Compiling OFFSET_ccsdt_t3_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_t3_4_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_4_2.F... +Compiling ccsdt_t3_4_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3_4_3.F... Compiling ccsdt_t3_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3_5_1.F... -Compiling OFFSET_ccsdt_t3_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_t3_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61108,16 +61065,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_5_2_1.F... +Compiling OFFSET_ccsdt_t3_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_t3_5_2_1.F... -Compiling ccsdt_t3_5_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3_5_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61158,11 +61115,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8.F... +Compiling ccsdt_t3_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61193,27 +61150,27 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_8_1_2_1.F... -Compiling ccsdt_t3_8_1_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3_8_1_3.F... +Compiling ccsdt_t3_8_1_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3_8_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8_1_4.F... -Compiling ccsdt_t3_8_2.F... -Compiling ccsdt_t3_8_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3_8_2.F... +Compiling ccsdt_t3_8_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61223,11 +61180,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3_8_2_1.F... -Compiling ccsdt_t3_8_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3_8_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61238,26 +61195,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8_3_1.F... +Compiling OFFSET_ccsdt_t3_8_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_t3_8_3_1.F... -Compiling ccsdt_t3_8_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3_8_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_8_4.F... -Compiling ccsdt_t3_8_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3_8_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61278,11 +61235,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3_9_1.F... -Compiling OFFSET_ccsdt_t3_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_t3_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61299,7 +61256,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_1_1.F... Compiling ccsdt_t3a_1_2.F... -Compiling ccsdt_t3a_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61308,31 +61264,32 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_t3a_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_t3a_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_1_2_2.F... +Compiling ccsdt_t3a_1_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_t3a_1_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_1_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61353,31 +61310,31 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_1_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_1_3_2.F... -Compiling ccsdt_t3a_1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_1_4.F... +Compiling ccsdt_t3a_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_1_4_1.F... -Compiling ccsdt_t3a_1_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_1_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61403,31 +61360,31 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_1_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_1_7.F... +Compiling ccsdt_t3a_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_2_1.F... +Compiling OFFSET_ccsdt_t3a_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_t3a_2_1.F... -Compiling ccsdt_t3a_2_2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61443,41 +61400,41 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_2_3_1.F... -Compiling ccsdt_t3a_2_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_2_3_2.F... +Compiling ccsdt_t3a_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_2_4.F... +Compiling ccsdt_t3a_2_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_2_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_3.F... +Compiling ccsdt_t3a_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_3_1.F... -Compiling ccsdt_t3a_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61508,92 +61465,92 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_4.F... -Compiling ccsdt_t3a_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_4_1.F... +Compiling OFFSET_ccsdt_t3a_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_t3a_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_4_2.F... +Compiling ccsdt_t3a_4_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_4_3.F... -Compiling ccsdt_t3a_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_5_1.F... +Compiling ccsdt_t3a_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_5_1.F... +Compiling OFFSET_ccsdt_t3a_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_t3a_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_t3a_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_t3a_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_5_2_2.F... -Compiling ccsdt_t3a_5_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_5_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_6.F... -Compiling ccsdt_t3a_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_t3a_6_1.F... +Compiling ccsdt_t3a_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_t3a_6_1.F... Compiling ccsdt_t3a_6_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_6_3.F... +Compiling ccsdt_t3a_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_6_3.F... -Compiling ccsdt_t3a_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61608,26 +61565,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_1.F... -Compiling OFFSET_ccsdt_t3a_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_8_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_t3a_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_8_1_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_8_1_1.F... +Compiling ccsdt_t3a_8_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_8_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61638,12 +61595,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_8_1_2_1.F... -Compiling ccsdt_t3a_8_1_2_2.F... -Compiling ccsdt_t3a_8_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_8_1_2_2.F... +Compiling ccsdt_t3a_8_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61658,48 +61615,48 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_2.F... +Compiling ccsdt_t3a_8_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_8_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_8_2_1.F... -Compiling ccsdt_t3a_8_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_8_3.F... +Compiling ccsdt_t3a_8_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_8_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_3_1.F... -Compiling OFFSET_ccsdt_t3a_8_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_t3a_8_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_8_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_8_4.F... +Compiling ccsdt_t3a_8_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_8_5.F... +Compiling ccsdt_t3a_8_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_t3a_8_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -61708,23 +61665,23 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_8_5_1.F... -Compiling OFFSET_ccsdt_t3a_8_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_t3a_8_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_t3a_9.F... +Compiling ccsdt_t3a_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_t3a_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_t3a_9_1.F... @@ -61738,51 +61695,51 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling acolo_o.F... -Compiling acolo_o_1p.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling acolo_o_2p.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling acolo_o_1p.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling acolo_o_2p.F... +Compiling acolo_1p_2h.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling acolo_1p_2h.F... +Compiling acolo_2h.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling acolo_2h.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling acolo_1h.F... -Compiling acolo_1p_1h.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling acolo_2p_1h.F... +Compiling acolo_1p_1h.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling acolo_2p_1h.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling acolo_1p.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling acolo_1p.F... -Compiling acolo_1a_2h.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling acolo_1a_2h.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61800,47 +61757,47 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsdt_lambda' Compiling ccsdt_lambda3.F... Compiling ccsdt_density1.F... +Compiling ccsdt_lambda1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1.F... -Compiling ccsdt_lambda1_1.F... +Compiling ccsdt_lambda1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_2.F... Compiling ccsdt_lambda1_2_1.F... -Compiling OFFSET_ccsdt_lambda1_2_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_2_2.F... -Compiling ccsdt_lambda1_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_2_2_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -61874,56 +61831,56 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_3_1.F... +Compiling ccsdt_lambda1_3_2.F... +Compiling ccsdt_lambda1_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_3_3_1.F... +Compiling OFFSET_ccsdt_lambda1_3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_3_3_1.F... Compiling ccsdt_lambda1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_5_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_2.F... +Compiling ccsdt_lambda1_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61934,26 +61891,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_5_2_2_1.F... -Compiling OFFSET_ccsdt_lambda1_5_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_5_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_5_2_2_1.F... +Compiling ccsdt_lambda1_5_2_2_2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_5_2_2_2.F... -Compiling ccsdt_lambda1_5_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_5_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -61984,26 +61941,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_5_4.F... -Compiling ccsdt_lambda1_5_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_5_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_5_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_5_5_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_5_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_5_5_1.F... +Compiling ccsdt_lambda1_5_5_2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_5_5_2.F... Compiling ccsdt_lambda1_5_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -62029,26 +61986,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_5_8.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_5_8.F... Compiling ccsdt_lambda1_6.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_6_1.F... +Compiling ccsdt_lambda1_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62059,41 +62016,41 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_2_1.F... +Compiling OFFSET_ccsdt_lambda1_6_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_6_2_1.F... -Compiling ccsdt_lambda1_6_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_6_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_2_2_1.F... -Compiling OFFSET_ccsdt_lambda1_6_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_6_2_2_1.F... +Compiling ccsdt_lambda1_6_2_2_2.F... +Compiling ccsdt_lambda1_6_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_6_2_2_2.F... +Compiling ccsdt_lambda1_6_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_6_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_6_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62124,21 +62081,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_6_4_1.F... -Compiling ccsdt_lambda1_6_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_6_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_5.F... -Compiling ccsdt_lambda1_6_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_6_5_1.F... Compiling OFFSET_ccsdt_lambda1_6_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -62149,41 +62106,41 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_6_5_2.F... +Compiling ccsdt_lambda1_6_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_6_6.F... Compiling ccsdt_lambda1_6_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_7_1.F... +Compiling OFFSET_ccsdt_lambda1_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_7_1.F... -Compiling ccsdt_lambda1_7_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_7_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_8.F... Compiling ccsdt_lambda1_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -62209,10 +62166,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_8_2_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -62221,10 +62174,14 @@ Compiling ccsdt_lambda1_8_2_2_1.F... Compiling OFFSET_ccsdt_lambda1_8_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -62234,21 +62191,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2_2_2_1.F... -Compiling OFFSET_ccsdt_lambda1_8_2_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_8_2_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2_2_2_2.F... -Compiling ccsdt_lambda1_8_2_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_8_2_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62260,35 +62217,35 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_8_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_8_2_3_1.F... +Compiling ccsdt_lambda1_8_2_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_8_2_3_2.F... Compiling ccsdt_lambda1_8_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_8_2_5.F... -Compiling ccsdt_lambda1_8_2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_8_2_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_8_2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_8_2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_8_2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62319,26 +62276,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_4_1.F... -Compiling OFFSET_ccsdt_lambda1_8_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_8_4_2.F... +Compiling OFFSET_ccsdt_lambda1_8_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_8_4_2.F... Compiling ccsdt_lambda1_8_4_2_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_8_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_8_4_2_1.F... Compiling ccsdt_lambda1_8_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -62350,15 +62307,15 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_8_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_8_5_1.F... +Compiling ccsdt_lambda1_8_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_8_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62371,19 +62328,19 @@ Compiling OFFSET_ccsdt_lambda1_8_5_2_1.F... Compiling ccsdt_lambda1_8_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_8_6_1.F... -Compiling OFFSET_ccsdt_lambda1_8_6_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_8_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_8_6_1.F... Compiling ccsdt_lambda1_8_6_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62395,20 +62352,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_8_6_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_8_6_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62421,34 +62378,34 @@ Compiling ccsdt_lambda1_8_7_1.F... Compiling OFFSET_ccsdt_lambda1_8_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_7_2.F... +Compiling ccsdt_lambda1_8_7_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_8_7_3.F... -Compiling ccsdt_lambda1_8_8.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_8_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_9.F... +Compiling ccsdt_lambda1_8_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_8_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62460,16 +62417,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_9_2.F... Compiling ccsdt_lambda1_8_10.F... -Compiling ccsdt_lambda1_8_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_8_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -62479,11 +62436,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_10_2.F... -Compiling ccsdt_lambda1_8_11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_8_11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62509,17 +62466,17 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_12_3.F... +Compiling ccsdt_lambda1_8_13.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_8_13.F... -Compiling ccsdt_lambda1_8_13_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_8_13_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_8_13_1.F... +Compiling OFFSET_ccsdt_lambda1_8_13_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62529,16 +62486,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_8_13_2.F... +Compiling ccsdt_lambda1_8_13_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_8_13_3.F... -Compiling ccsdt_lambda1_8_14.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_8_14.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62564,11 +62521,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_1.F... -Compiling OFFSET_ccsdt_lambda1_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62584,51 +62541,51 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_4.F... +Compiling ccsdt_lambda1_9_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_9_4_1.F... -Compiling OFFSET_ccsdt_lambda1_9_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_9_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_9_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_9_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_4_3.F... -Compiling ccsdt_lambda1_9_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_9_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_9_5_1.F... -Compiling OFFSET_ccsdt_lambda1_9_5_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_9_5_1.F... +Compiling ccsdt_lambda1_9_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_9_5_2.F... +Compiling ccsdt_lambda1_9_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_9_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62646,7 +62603,6 @@ Compiling ccsdt_lambda1_9_6.F... Compiling ccsdt_lambda1_9_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_9_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -62654,13 +62610,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_9_6_1.F... +Compiling ccsdt_lambda1_10.F... +Compiling ccsdt_lambda1_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -62704,37 +62661,37 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_11_3.F... -Compiling ccsdt_lambda1_12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_12.F... +Compiling ccsdt_lambda1_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_12_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_12_2.F... Compiling ccsdt_lambda1_12_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_13.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_13.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -62745,15 +62702,15 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_13_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_13_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_13_2.F... -Compiling ccsdt_lambda1_14.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_14.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62779,16 +62736,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_3_1.F... +Compiling OFFSET_ccsdt_lambda1_14_3_1.F... +Compiling ccsdt_lambda1_14_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_14_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_14_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62799,21 +62756,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_3_3_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_14_3_3_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_14_3_3_2.F... -Compiling ccsdt_lambda1_14_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_14_3_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_14_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62824,42 +62781,42 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_14_4_1.F... -Compiling ccsdt_lambda1_14_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_14_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_5_1.F... -Compiling OFFSET_ccsdt_lambda1_14_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_14_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_5_2.F... +Compiling ccsdt_lambda1_14_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_14_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_14_6_1.F... -Compiling OFFSET_ccsdt_lambda1_14_6_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_14_6_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -62900,10 +62857,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_14_8_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_14_8_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_14_8_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62924,11 +62881,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_14_9_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_14_9_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -62964,27 +62921,27 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_15_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_15_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_15_4_1.F... -Compiling OFFSET_ccsdt_lambda1_15_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_15_4_1.F... +Compiling ccsdt_lambda1_16.F... +Compiling ccsdt_lambda1_16_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_16.F... -Compiling ccsdt_lambda1_16_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63009,16 +62966,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_16_3_1.F... -Compiling OFFSET_ccsdt_lambda1_16_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_16_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_16_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_16_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63039,22 +62996,22 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_17.F... -Compiling ccsdt_lambda1_17_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_17_1.F... -Compiling ccsdt_lambda1_18.F... +Compiling ccsdt_lambda1_17_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_17_1.F... +Compiling ccsdt_lambda1_18.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -63064,26 +63021,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_18_1.F... -Compiling ccsdt_lambda1_18_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_18_1_1.F... +Compiling OFFSET_ccsdt_lambda1_18_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_18_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_1_2.F... -Compiling ccsdt_lambda1_18_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_18_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63099,21 +63056,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_18_1_4_1.F... +Compiling ccsdt_lambda1_18_1_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_18_1_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_2.F... +Compiling ccsdt_lambda1_18_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_18_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63124,13 +63081,13 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_2_2.F... +Compiling ccsdt_lambda1_18_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_18_3.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_3_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -63139,61 +63096,61 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_18_3_1.F... -Compiling ccsdt_lambda1_18_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_18_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_4.F... +Compiling ccsdt_lambda1_18_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_18_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_18_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_18_5_1.F... -Compiling OFFSET_ccsdt_lambda1_18_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_18_5_1.F... +Compiling ccsdt_lambda1_18_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_18_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_6_1.F... +Compiling OFFSET_ccsdt_lambda1_18_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_18_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_18_6_1_1.F... -Compiling OFFSET_ccsdt_lambda1_18_6_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_18_6_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_19.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_19.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63204,23 +63161,23 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_19_1.F... +Compiling ccsdt_lambda1_20.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_20.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_20_1.F... Compiling OFFSET_ccsdt_lambda1_20_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_20_1_1.F... @@ -63234,36 +63191,40 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_21.F... -Compiling ccsdt_lambda1_21_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_21_1.F... +Compiling OFFSET_ccsdt_lambda1_21_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_21_1.F... Compiling ccsdt_lambda1_21_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda1_21_1_1.F... +Compiling ccsdt_lambda1_21_1_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda1_21_1_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_21_1_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_21_1_1_1.F... Compiling ccsdt_lambda1_21_1_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -63274,36 +63235,32 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda1_21_2_1.F... Compiling OFFSET_ccsdt_lambda1_21_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda1_21_2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda1_21_2_1_1.F... +Compiling OFFSET_ccsdt_lambda1_21_2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda1_21_2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2.F... -Compiling ccsdt_lambda2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_1.F... Compiling ccsdt_lambda2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -63329,23 +63286,24 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_3.F... -Compiling ccsdt_lambda2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_3_1.F... Compiling OFFSET_ccsdt_lambda2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_3_2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_3_2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -63353,7 +63311,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63369,18 +63326,18 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_5_2.F... -Compiling ccsdt_lambda2_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda2_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda2_5_2_1.F... -Compiling ccsdt_lambda2_5_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_5_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -63394,21 +63351,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63419,31 +63376,31 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_6_4.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_6_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_6_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_6_4_1.F... -Compiling ccsdt_lambda2_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_7_1.F... +Compiling ccsdt_lambda2_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63464,36 +63421,36 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_7_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_7_2_2.F... -Compiling ccsdt_lambda2_7_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_7_3.F... +Compiling ccsdt_lambda2_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_8_1.F... -Compiling OFFSET_ccsdt_lambda2_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda2_8_1.F... +Compiling ccsdt_lambda2_8_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_8_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63504,14 +63461,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_9.F... -Compiling ccsdt_lambda2_10.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda2_10_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_10.F... +Compiling ccsdt_lambda2_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63520,17 +63475,19 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda2_10_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_2.F... +Compiling ccsdt_lambda2_10_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_10_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_10_2_1.F... @@ -63539,31 +63496,31 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_2_2.F... -Compiling ccsdt_lambda2_10_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_10_2_2_1.F... +Compiling OFFSET_ccsdt_lambda2_10_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda2_10_2_2_1.F... +Compiling ccsdt_lambda2_10_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_10_2_2_2.F... Compiling ccsdt_lambda2_10_2_3.F... -Compiling ccsdt_lambda2_10_2_4.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_10_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63575,30 +63532,30 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_3_1.F... Compiling OFFSET_ccsdt_lambda2_10_3_1.F... -Compiling ccsdt_lambda2_10_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_10_3_3.F... +Compiling ccsdt_lambda2_10_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_10_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_4.F... +Compiling ccsdt_lambda2_10_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_10_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63620,17 +63577,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_10_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_10_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_10_8.F... +Compiling ccsdt_lambda2_10_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_11_1.F... +Compiling ccsdt_lambda2_10_8.F... +Compiling ccsdt_lambda2_11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63639,11 +63595,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_11_1.F... +Compiling OFFSET_ccsdt_lambda2_11_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda2_11_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63654,76 +63611,76 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_2_1.F... +Compiling OFFSET_ccsdt_lambda2_11_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda2_11_2_1.F... -Compiling ccsdt_lambda2_11_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_11_2_2_1.F... +Compiling ccsdt_lambda2_11_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_11_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_11_2_2_1.F... -Compiling ccsdt_lambda2_11_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_11_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_2_3.F... -Compiling ccsdt_lambda2_11_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_11_3_1.F... +Compiling ccsdt_lambda2_11_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda2_11_3_1.F... +Compiling ccsdt_lambda2_11_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda2_11_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_3_2.F... -Compiling ccsdt_lambda2_11_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_11_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_4_1.F... Compiling OFFSET_ccsdt_lambda2_11_4_1.F... -Compiling ccsdt_lambda2_11_4_2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_11_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63745,30 +63702,30 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_11_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_11_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_11_7.F... +Compiling ccsdt_lambda2_11_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_11_7.F... +Compiling ccsdt_lambda2_12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_12.F... Compiling ccsdt_lambda2_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda2_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda2_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63779,11 +63736,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_12_3.F... -Compiling ccsdt_lambda2_12_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_12_3_1.F... Compiling OFFSET_ccsdt_lambda2_12_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -63799,16 +63756,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_12_4.F... -Compiling ccsdt_lambda2_12_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_12_6.F... +Compiling ccsdt_lambda2_12_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_12_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63844,32 +63801,32 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_13_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_13_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_13_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_13_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_13_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_14.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_13_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_14_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_14.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_14_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -63884,13 +63841,13 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_15.F... +Compiling ccsdt_lambda2_15_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_15_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_15_1.F... @@ -63909,21 +63866,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_16_1.F... +Compiling OFFSET_ccsdt_lambda2_16_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda2_16_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_16_2.F... +Compiling ccsdt_lambda2_17.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_17.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63949,11 +63906,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_18_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_18_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63964,31 +63921,31 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_19_1.F... -Compiling OFFSET_ccsdt_lambda2_19_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_19_2.F... +Compiling OFFSET_ccsdt_lambda2_19_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_19_2.F... Compiling ccsdt_lambda2_19_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_19_3_1.F... +Compiling OFFSET_ccsdt_lambda2_19_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda2_19_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -63999,12 +63956,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_19_4_1.F... -Compiling OFFSET_ccsdt_lambda2_19_4_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda2_19_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -64014,13 +63971,13 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_20_1.F... -Compiling OFFSET_ccsdt_lambda2_20_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_21.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda2_20_1.F... +Compiling ccsdt_lambda2_21.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -64034,32 +63991,32 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_21_1.F... -Compiling ccsdt_lambda2_22.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_22.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_22_1.F... -Compiling OFFSET_ccsdt_lambda2_22_1.F... -Compiling ccsdt_lambda2_23.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda2_22_1.F... +Compiling ccsdt_lambda2_23.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_23_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_23_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -64079,16 +64036,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_23_2_1.F... -Compiling ccsdt_lambda2_23_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_23_2_2.F... +Compiling ccsdt_lambda2_23_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_23_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64100,12 +64057,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_23_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_24.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_24.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_24_1.F... @@ -64114,21 +64071,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_24_1.F... -Compiling ccsdt_lambda2_24_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_24_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling OFFSET_ccsdt_lambda2_24_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda2_24_1_1.F... +Compiling ccsdt_lambda2_25.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_25.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64144,11 +64101,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_lambda2_25_1_1.F... -Compiling OFFSET_ccsdt_lambda2_25_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling OFFSET_ccsdt_lambda2_25_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64174,11 +64131,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_26_1_1.F... -Compiling ccsdt_lambda2_26_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_lambda2_26_2.F... Compiling ccsdt_lambda2_26_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -64189,11 +64146,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling OFFSET_ccsdt_lambda2_26_2_1.F... +Compiling ccsdt_lambda2_26_2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdt_lambda2_26_2_1_1.F... Compiling OFFSET_ccsdt_lambda2_26_2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -64232,40 +64189,40 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_denominator.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_x1a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_x1a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x2a.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_1_2.F... +Compiling eomccsdt_density1_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_1_3.F... +Compiling eomccsdt_density1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64277,29 +64234,29 @@ Compiling eomccsdt_density1_2_2_1.F... Compiling eomccsdt_density1_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3_1.F... +Compiling eomccsdt_density1_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_3_2.F... +Compiling eomccsdt_density1_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64340,36 +64297,32 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3_6_1.F... +Compiling eomccsdt_density1_3_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_3_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_3.F... -Compiling eomccsdt_density1_4_1.F... -Compiling eomccsdt_density1_4_2_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_4_2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64379,22 +64332,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_5_10_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_5_10_2_1.F... Compiling eomccsdt_density1_5_10_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_10_2_2_2.F... +Compiling eomccsdt_density1_5_10_2_2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_5_10_2_2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64421,10 +64378,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_5_11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_5_11.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64450,11 +64407,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_13.F... -Compiling eomccsdt_density1_5_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64465,11 +64422,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_3_1.F... +Compiling eomccsdt_density1_5_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_5_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64480,41 +64437,41 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_3_4_1.F... -Compiling eomccsdt_density1_5_3_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_5_3_4_2.F... +Compiling eomccsdt_density1_5_3_4_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_5_3_4_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_3_4.F... -Compiling eomccsdt_density1_5_3_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_5_3_5_2.F... +Compiling eomccsdt_density1_5_3_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_5_3_5_2.F... +Compiling eomccsdt_density1_5_3_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_5_3_5.F... -Compiling eomccsdt_density1_5_3_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_5_3_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64550,41 +64507,41 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_5_1.F... -Compiling eomccsdt_density1_5_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_5_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_5_3.F... -Compiling eomccsdt_density1_5_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_5_5.F... +Compiling eomccsdt_density1_5_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_5_6_1.F... +Compiling eomccsdt_density1_5_6_2.F... +Compiling eomccsdt_density1_5_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_5_6_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_5_6.F... -Compiling eomccsdt_density1_5_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_5_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64606,20 +64563,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_5_8_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_5_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_5_8.F... +Compiling eomccsdt_density1_5_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_5_9_1.F... +Compiling eomccsdt_density1_5_9_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_5_9_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64635,16 +64592,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_6_1.F... -Compiling eomccsdt_density1_6_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_6_2.F... +Compiling eomccsdt_density1_6_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_6_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64660,41 +64617,41 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_6_4_1.F... +Compiling eomccsdt_density1_6_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_6_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_6_4.F... +Compiling eomccsdt_density1_6_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_density1_6_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_density1_6_5.F... -Compiling eomccsdt_density1_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_density1_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x2a_all12.F... -Compiling eomccsdt_x2a_all15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_x2a_all15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64705,11 +64662,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x2a_all3.F... -Compiling eomccsdt_x2a_all6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_x2a_all6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64720,11 +64677,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x2_all12.F... -Compiling eomccsdt_x2_all15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_x2_all15.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64816,10 +64773,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_x3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling eomccsdt_y1_all12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling eomccsdt_y1_all12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64870,11 +64827,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling eomccsdt_y2_all18.F... +Compiling eomccsdt_y2_all21.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling eomccsdt_y2_all21.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -64941,56 +64898,56 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling alpha_1_1_3_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_1_1_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_1_1_3_2.F... +Compiling alpha_1_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_1_1_3.F... Compiling alpha_1_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_1_1_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_1_1_4_2.F... Compiling alpha_1_1_4.F... -Compiling alpha_1_1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_1_1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling alpha_1_1_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_1_1_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling alpha_1_1_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_1_1_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_1_1_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65001,26 +64958,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1_2_1.F... +Compiling alpha_1_2_2.F... +Compiling alpha_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_1_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_1_2.F... Compiling alpha_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65031,36 +64988,36 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_1_4.F... +Compiling alpha_1.F... +Compiling alpha_2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_1.F... +Compiling alpha_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_1_1.F... -Compiling alpha_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_2_1_1.F... Compiling alpha_2_2_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_2_1.F... Compiling alpha_2_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -65071,11 +65028,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_2_2_2.F... +Compiling alpha_2_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_2_2.F... Compiling alpha_2_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -65086,26 +65043,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_2_3.F... -Compiling alpha_2_2_4_1.F... -Compiling alpha_2_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_2.F... -Compiling alpha_2_3_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_3_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65117,10 +65074,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling alpha_2_3_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_3_1_3.F... Compiling alpha_2_3_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -65131,92 +65088,92 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_2_1.F... +Compiling alpha_2_3_2_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_3_2_2.F... -Compiling alpha_2_3_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling alpha_2_3_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_3_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_3_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_3_2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_3_2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling alpha_2_3_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_3_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_2.F... +Compiling alpha_2_3_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_3_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_3_3.F... -Compiling alpha_2_3_3_1.F... +Compiling alpha_2_3_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_3_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_3_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_3_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling alpha_2_3_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_3_5.F... +Compiling alpha_2_3_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_3_5.F... +Compiling alpha_2_3_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling alpha_2_3_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_3_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_3_6.F... -Compiling alpha_2_3_7_1.F... -Compiling alpha_2_3_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling alpha_2_3_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_3_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65226,11 +65183,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_8_1.F... +Compiling alpha_2_3_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_3_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65243,11 +65200,11 @@ Compiling alpha_2_3_9_1.F... Compiling alpha_2_3_9_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_9_2.F... @@ -65256,26 +65213,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_3_9.F... -Compiling alpha_2_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_3.F... +Compiling alpha_2_4_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_4_1_1.F... Compiling alpha_2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65286,23 +65243,22 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_1.F... -Compiling alpha_2_5_10_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_10_2.F... +Compiling alpha_2_5_10_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_10_2.F... Compiling alpha_2_5_10_3_1.F... -Compiling alpha_2_5_10_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_10_4_1.F... +Compiling alpha_2_5_10_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65311,11 +65267,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_10_4_1.F... +Compiling alpha_2_5_10_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_10_4.F... Compiling alpha_2_5_10_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -65331,21 +65288,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_6_1.F... +Compiling alpha_2_5_10_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_10_6.F... Compiling alpha_2_5_10_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_10_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_10_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65356,26 +65313,26 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_10_8_1.F... +Compiling alpha_2_5_10_8.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_10_8.F... -Compiling alpha_2_5_10.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling alpha_2_5_11_1_1.F... -Compiling alpha_2_5_11_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_10.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_11_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_11_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65386,11 +65343,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_11.F... -Compiling alpha_2_5_12_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_12_1_1.F... +Compiling alpha_2_5_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65400,64 +65358,63 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_12.F... -Compiling alpha_2_5_13_1_1.F... -Compiling alpha_2_5_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_12.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_13_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_1_3_1.F... +Compiling alpha_2_5_13_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_13_1.F... Compiling alpha_2_5_13_2_1.F... +Compiling alpha_2_5_13_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_13_2.F... -Compiling alpha_2_5_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_1_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_13.F... +Compiling alpha_2_5_14_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_14_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_14_1.F... -Compiling alpha_2_5_14_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling alpha_2_5_14_2_1.F... Compiling alpha_2_5_14_2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -65466,7 +65423,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_14.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_1.F... +Compiling alpha_2_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65475,23 +65437,23 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_2_1.F... Compiling alpha_2_5_2.F... Compiling alpha_2_5_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_3_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_3_2.F... Compiling alpha_2_5_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65500,8 +65462,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_4_1.F... Compiling alpha_2_5_4_2_1.F... +Compiling alpha_2_5_4_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65510,34 +65472,28 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_4_2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_5_1.F... -Compiling alpha_2_5_5.F... -Compiling alpha_2_5_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling alpha_2_5_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_5.F... +Compiling alpha_2_5_6_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5_6_1.F... Compiling alpha_2_5_6.F... -Compiling alpha_2_5_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65546,13 +65502,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_7.F... -Compiling alpha_2_5_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling alpha_2_5_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -65561,36 +65518,36 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_8.F... -Compiling alpha_2_5_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_5_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_5_9.F... +Compiling alpha_2_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_5.F... +Compiling alpha_2_6_1_1.F... +Compiling alpha_2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_6_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling alpha_2_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_6.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65606,11 +65563,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_1_2.F... +Compiling alpha_2_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65621,8 +65578,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_2.F... -Compiling alpha_2_7_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling alpha_2_7_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -65631,17 +65588,18 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_3.F... +Compiling alpha_2_7_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_7_4_1.F... +Compiling alpha_2_7_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_7_4_2_1.F... Compiling alpha_2_7_4_2.F... +Compiling alpha_2_7_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65650,42 +65608,41 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_7_4.F... -Compiling alpha_2_7_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_7_5_1.F... +Compiling alpha_2_7_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_7_5.F... +Compiling alpha_2_7_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_7_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_6.F... -Compiling alpha_2_7_7_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_7_7_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_7_7_1.F... +Compiling alpha_2_7_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_7_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65701,31 +65658,31 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_1.F... -Compiling alpha_2_8_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_8_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_2.F... -Compiling alpha_2_8_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_8_3.F... -Compiling alpha_2_8_4_1_1.F... +Compiling alpha_2_8_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_8_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_8_4_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65736,15 +65693,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4_1_2.F... -Compiling alpha_2_8_4_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_8_4_1.F... Compiling alpha_2_8_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -65760,6 +65713,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -65768,19 +65725,19 @@ Compiling alpha_2_8_4_3_2.F... Compiling alpha_2_8_4_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4_4_1.F... -Compiling alpha_2_8_4_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_8_4_4.F... Compiling alpha_2_8_4_5_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -65791,101 +65748,101 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_8_4_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_8_4_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_4.F... -Compiling alpha_2_8_5_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling alpha_2_8_5_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_8_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_8_5_1.F... -Compiling alpha_2_8_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_8_5_2_1.F... +Compiling alpha_2_8_5_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_8_5_2.F... +Compiling alpha_2_8_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_8_5.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_6_1_1.F... -Compiling alpha_2_8_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_8_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_6_2_1.F... -Compiling alpha_2_8_6_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_8_6_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_6_3_1.F... Compiling alpha_2_8_6_3.F... -Compiling alpha_2_8_6_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_8_6_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_8_6_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_8_6_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2_8_6.F... -Compiling alpha_2_8_7_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_8_7_1.F... +Compiling alpha_2_8_7_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling alpha_2_8_7_1.F... +Compiling alpha_2_8_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling alpha_2_8_7.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65911,52 +65868,57 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling alpha_2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dip_r_1_1.F... -Compiling dip_r_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dip_r_1_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dip_r_1.F... +Compiling dip_r_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling dip_r.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dip_r_2.F... +Compiling offset_alpha_1_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dip_r.F... +Compiling offset_alpha_1_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_1_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_1_1_3_1.F... Compiling offset_alpha_1_1_4_1.F... -Compiling offset_alpha_1_1_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_1_1_5_1.F... Compiling offset_alpha_1_1_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -65965,17 +65927,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_1_2_1.F... Compiling offset_alpha_1_3_1.F... Compiling offset_alpha_1_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -65986,17 +65943,18 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_2_1_1.F... -Compiling offset_alpha_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_2_2_1.F... Compiling offset_alpha_2_2_3_1.F... +Compiling offset_alpha_2_2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66005,13 +65963,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_3_1_1.F... +Compiling offset_alpha_2_3_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66021,21 +65978,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_3_1_4_1.F... +Compiling offset_alpha_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_3_1.F... +Compiling offset_alpha_2_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_3_2_1.F... +Compiling offset_alpha_2_3_2_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_3_2_3_1.F... Compiling offset_alpha_2_3_2_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -66057,11 +66014,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_3_5_1.F... Compiling offset_alpha_2_3_6_1.F... -Compiling offset_alpha_2_3_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_3_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66071,38 +66028,38 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_3_9_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_3_9_1_1.F... Compiling offset_alpha_2_3_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_3_9_2_1.F... -Compiling offset_alpha_2_4_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_4_1.F... +Compiling offset_alpha_2_3_9_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_4_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_4_1.F... Compiling offset_alpha_2_5_10_1_1.F... Compiling offset_alpha_2_5_10_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -66116,31 +66073,31 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_10_3_1.F... -Compiling offset_alpha_2_5_10_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_5_10_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_10_5_1.F... +Compiling offset_alpha_2_5_10_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_5_10_6_1.F... +Compiling offset_alpha_2_5_10_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_5_10_7_1.F... +Compiling offset_alpha_2_5_10_8_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_5_10_8_1_1.F... Compiling offset_alpha_2_5_10_8_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -66156,38 +66113,37 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_5_12_1.F... +Compiling offset_alpha_2_5_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_5_12_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_5_13_1_1.F... +Compiling offset_alpha_2_5_12_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_5_13_1_1.F... Compiling offset_alpha_2_5_1_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_5_13_1.F... -Compiling offset_alpha_2_5_13_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_5_14_1_1.F... +Compiling offset_alpha_2_5_13_1.F... +Compiling offset_alpha_2_5_13_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66196,21 +66152,22 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_5_14_1_1.F... +Compiling offset_alpha_2_5_14_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_5_14_1.F... +Compiling offset_alpha_2_5_14_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_5_14_2_1.F... +Compiling offset_alpha_2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66231,51 +66188,51 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_5_4_2_1.F... +Compiling offset_alpha_2_5_5_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_5_5_1.F... +Compiling offset_alpha_2_5_6_1.F... +Compiling offset_alpha_2_5_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_5_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_5_7_1.F... -Compiling offset_alpha_2_5_8_1.F... -Compiling offset_alpha_2_5_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_5_8_1.F... +Compiling offset_alpha_2_5_9_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_6_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_6_1_1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling offset_alpha_2_6_1.F... -Compiling offset_alpha_2_7_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_7_1_1.F... +Compiling offset_alpha_2_7_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_7_1_2_1.F... Compiling offset_alpha_2_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -66291,17 +66248,18 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_7_3_1.F... -Compiling offset_alpha_2_7_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_7_4_1.F... +Compiling offset_alpha_2_7_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66310,127 +66268,126 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_7_6_1.F... -Compiling offset_alpha_2_7_7_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_7_7_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling offset_alpha_2_7_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_7_7_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_1_1.F... Compiling offset_alpha_2_8_1.F... -Compiling offset_alpha_2_8_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_8_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_8_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_8_3_1.F... Compiling offset_alpha_2_8_4_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_8_4_1_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_8_4_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_8_4_3_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_8_4_3_1.F... Compiling offset_alpha_2_8_4_3_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_4_4_1.F... +Compiling offset_alpha_2_8_4_5_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_8_4_5_1_1.F... -Compiling offset_alpha_2_8_4_5_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_8_4_5_1.F... +Compiling offset_alpha_2_8_5_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_8_5_1_1.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_5_1.F... -Compiling offset_alpha_2_8_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_8_5_2_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_6_1_1.F... +Compiling offset_alpha_2_8_6_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_8_6_4_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_alpha_2_8_6_4_1.F... -Compiling offset_alpha_2_8_7_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling offset_alpha_2_8_7_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66442,11 +66399,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling offset_alpha_2_8_8_1.F... +Compiling offset_dip_r_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling offset_dip_r_1_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66482,11 +66439,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling beta_all_offsets.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling beta_all_offsets.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66504,26 +66461,26 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/ccsd_yr' Compiling ccsd_y_o1.F... Compiling ccsd_y_o2.F... -Compiling ccsd_yr1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_yr2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ccsd_yr1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_yr2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_y_tr1.F... -Compiling ccsd_y_tr2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_y_tr2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66533,11 +66490,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_lr_d1_hh.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_lr_d1_hh.F... Compiling ccsd_lr_d1_ph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -66548,11 +66505,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_lr_d1_hp.F... +Compiling ccsd_lr_d1_pp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_lr_d1_pp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66569,18 +66526,18 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/response' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/response' Compiling ccsd_o1.F... +Compiling ccsd_o2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsd_o2.F... Compiling eomccsd_o1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling eomccsd_o2.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -66590,35 +66547,35 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsdt_o2.F... -Compiling ccsdt_o3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdt_o3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdtq_o1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdtq_o1.F... Compiling ccsdtq_o2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdtq_o3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ccsdtq_o4.F... -Compiling ccsdtq_o3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsdtq_o4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66634,13 +66591,13 @@ Making all in mrcc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' Compiling tce_mrcc_input.F... +Making all in include +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' -Making all in include -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' tce_mrcc_input.F:127:55: 87 | if (.not.rtdb_put(rtdb,'mrcc:usescffermiv',mt_log,1,.true.)) @@ -66652,32 +66609,32 @@ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' Compiling tce_mrcc_energy.F... Compiling tce_mrcc_readref.F... -Compiling tce_mrcc_calcexcit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mrcc_sortint.F... +Compiling tce_mrcc_calcexcit.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_mrcc_sortint.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_mrcc_tile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mrcc_tile.F... Compiling tce_mrcc_macpy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_fillindexarray.F... @@ -66686,16 +66643,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling create_mr_evl_sorted.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling create_mr_evl_sorted.F... +Compiling pgcreatefile.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling pgcreatefile.F... Compiling tce_mrcc_mo2e.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -66715,6 +66672,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +tce_mrcc_tile.F:180:50: + + 163 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then + | 2 +...... + 180 | 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_subnxtask.F:85:72: 85 | end @@ -66726,21 +66691,12 @@ | ^ note: '__result_nxtasksub' was declared here Compiling tce_mrcc_sublock.c... -tce_mrcc_tile.F:180:50: - - 163 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then - | 2 -...... - 180 | 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)). Compiling eaf_mrcc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_t3ac_offset.F... -Compiling tce_t4ac_offset.F... tce_mrcc_energy.F:207:57: 203 | if (.not.rtdb_get(rtdb,'mrcc:debug',mt_log,1,mrccdebug)) @@ -66757,6 +66713,12 @@ 2160 | if (.not.rtdb_put(rtdb,'tce:energy',mt_dbl,1,epsilon+enrep)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). +tce_mrcc_energy.F:3172:72: + + 3172 | call errquit('tce_mrcc_energy: unkown method',INPUT_ERR) + | 1 +Warning: Missing actual argument for argument '_formal_7' at (1) +Compiling tce_t4ac_offset.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66765,17 +66727,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -tce_mrcc_energy.F:3172:72: - - 3172 | call errquit('tce_mrcc_energy: unkown method',INPUT_ERR) - | 1 -Warning: Missing actual argument for argument '_formal_7' at (1) Compiling tce_mrcc_refs_sym.F... -Compiling tce_mrcc_force_orben.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_mrcc_force_orben.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66787,11 +66744,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_heff.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_diis.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -66800,22 +66753,20 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mrcc_jacobi_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mrcc_gacp.F... +Compiling tce_mrcc_jacobi_t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mrcc_daxfile.F... +Compiling tce_mrcc_gacp.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mrcc_diis_tidy.F... tce_mrcc_heff.F:1274:58: 1231 | if (.not.rtdb_get(rtdb,'mrcc:zignore',mt_int,1,iignore)) @@ -66832,16 +66783,12 @@ 1454 | call ga_brdcst(Msg_Vec_EVal+MSGINT+30,mkroot,inntsize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). -tce_mrcc_tile.F:671:72: - - 671 | oatiles(1)=nblocks_a - | ^ -Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] -tce_mrcc_tile.F:45:23: - - 45 | integer nblocks_a,nblocks_ia - | ^ -note: 'nblocks_a' was declared here +Compiling tce_mrcc_daxfile.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_mrcc_diis_tidy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66852,31 +66799,41 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_jacobi_sub_t2.F... +Compiling tce_mrcc_c1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mrcc_c1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_c1_offset.F... -Compiling tce_mrcc_c2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_mrcc_c2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_c2_offset.F... -Compiling tce_mrcc_mul_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +tce_mrcc_tile.F:671:72: + + 671 | oatiles(1)=nblocks_a + | ^ +Warning: 'nblocks_a' may be used uninitialized [-Wmaybe-uninitialized] +tce_mrcc_tile.F:45:23: + + 45 | integer nblocks_a,nblocks_ia + | ^ +note: 'nblocks_a' was declared here +Compiling tce_mrcc_mul_1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66941,6 +66898,11 @@ 24 | integer id,ia,ib | ^ note: 'id' was declared here +make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' +make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' +Making all in ccsd +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' +make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' tce_mrcc_heff.F:1621:28: 1621 | IF ((nxt.eq.count).or.(.not.limprovet)) THEN @@ -66951,12 +66913,6 @@ 1506 | INTEGER count | ^ note: 'count' was declared here -make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' -make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/include' -Making all in ccsd -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' -make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' -make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' Compiling mr_ccsd_e.F... Compiling mr_ccsd_t1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66974,11 +66930,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling T2_C2_1.F... -Compiling T2_C2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling T2_C2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -66997,6 +66953,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/ccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libtce.lock @@ -67015,11 +66972,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ccsd_se.F... -Compiling ccsd_dcl_sub.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_dcl_sub.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -67042,30 +66999,30 @@ Compiling tce_mrcc_q3vnt1.F... Compiling tce_mrcc_q3vnt2.F... Compiling tce_mrcc_q3fnt2.F... -Compiling tce_mrcc_ccsdpt.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_mrcc_ccsdpt_subg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_mrcc_ccsdpt.F... +Compiling tce_mrcc_ccsdpt_subg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling tce_mrcc_q3vnt1_subg.F... -Compiling tce_mrcc_q3fnt2_subg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_mrcc_q3fnt2_subg.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -67086,27 +67043,27 @@ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/uss' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/tce/mrcc/uss' Compiling tce_uss_offdiagonal_1.F... +Compiling tce_uss_offdiagonal_2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_uss_offdiagonal_2.F... Compiling tce_uss_offdiagonal_3.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_uss_offdiagonal_4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_uss_offdiagonal_4.F... Compiling ccsd_r3.F... -Compiling ccsd_r4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ccsd_r4.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -67116,11 +67073,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_uss_T1_R1.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling tce_uss_T2_R2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling tce_uss_T1_R1.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -67135,11 +67097,6 @@ 33 | integer l_r4a,k_r4a | ^ note: 'k_r4a' declared here -Compiling tce_uss_T2_R2.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] tce_uss_offdiagonal_1.F:376:11: 376 | if(ioff1.ne.ioff) then @@ -67211,6 +67168,11 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mm' Compiling mm_input.F... Compiling mm_data.F... +Compiling mm_coords.F... +Compiling mm_vdw.F... +Compiling mm_bond.F... +Compiling mm_bond_coords.F... +Compiling mm_link.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -67219,14 +67181,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mm_coords.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling mm_geom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mm_vdw.F... -Compiling mm_bond.F... -Compiling mm_bond_coords.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -67235,12 +67194,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mm_link.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mm_geom.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -67251,18 +67208,18 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling mm_bq.F... +Compiling mm_neb.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mm_neb.F... +Compiling mm_cons.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling mm_cons.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -67290,6 +67247,14 @@ 143 | & call errquit("error getting crdparm "//pname,0 -1) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) +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)). mm_bond.F:1508:72: 1508 | xij = br(1,i1)-br(1,i2) @@ -67330,30 +67295,26 @@ 1454 | integer i1, i2, i3, i4 | ^ note: 'i4' was declared here -mm_data.F:574:51: +mm_link.F:365:72: - 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: + 365 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale + | ^ +Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] +mm_link.F:297:17: - 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) -mm_link.F:550:49: + 297 | integer i_i, i_j + | ^ +note: 'i_i' was declared here +mm_link.F:368:72: - 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)). + 368 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale + | ^ +Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] +mm_link.F:297:22: + + 297 | integer i_i, i_j + | ^ +note: 'i_j' was declared here mm_bond.F:1170:72: 1170 | xij = br(1,i1) - br(1,i2) @@ -67384,6 +67345,42 @@ 1140 | integer i1, i2, i3 | ^ note: 'i3' was declared here +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) +mm_link.F:487:72: + + 487 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale + | ^ +Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] +mm_link.F:420:17: + + 420 | integer i_i, i_j + | ^ +note: 'i_i' was declared here +mm_link.F:490:72: + + 490 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale + | ^ +Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] +mm_link.F:420:22: + + 420 | integer i_i, i_j + | ^ +note: 'i_j' was declared here mm_bond.F:1651:72: 1651 | xij = br(1,i1)-br(1,i2) @@ -67424,6 +67421,26 @@ 1597 | integer i1, i2, i3, i4 | ^ note: 'i4' was declared here +mm_link.F:828:72: + + 828 | rh = rq - (rq-rl)*a + | ^ +Warning: 'rl' may be used uninitialized [-Wmaybe-uninitialized] +mm_link.F:812:28: + + 812 | double precision rq,rl,rh + | ^ +note: 'rl' was declared here +mm_link.F:828:72: + + 828 | rh = rq - (rq-rl)*a + | ^ +Warning: 'rq' may be used uninitialized [-Wmaybe-uninitialized] +mm_link.F:812:25: + + 812 | double precision rq,rl,rh + | ^ +note: 'rq' was declared here mm_bond.F:1258:72: 1258 | xij = br(1,i1) - br(1,i2) @@ -67454,66 +67471,6 @@ 1226 | integer i1, i2, i3 | ^ note: 'i3' was declared here -mm_link.F:365:72: - - 365 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale - | ^ -Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] -mm_link.F:297:17: - - 297 | integer i_i, i_j - | ^ -note: 'i_i' was declared here -mm_link.F:368:72: - - 368 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale - | ^ -Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] -mm_link.F:297:22: - - 297 | integer i_i, i_j - | ^ -note: 'i_j' was declared here -mm_link.F:487:72: - - 487 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale - | ^ -Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] -mm_link.F:420:17: - - 420 | integer i_i, i_j - | ^ -note: 'i_i' was declared here -mm_link.F:490:72: - - 490 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale - | ^ -Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] -mm_link.F:420:22: - - 420 | integer i_i, i_j - | ^ -note: 'i_j' was declared here -mm_link.F:828:72: - - 828 | rh = rq - (rq-rl)*a - | ^ -Warning: 'rl' may be used uninitialized [-Wmaybe-uninitialized] -mm_link.F:812:28: - - 812 | double precision rq,rl,rh - | ^ -note: 'rl' was declared here -mm_link.F:828:72: - - 828 | rh = rq - (rq-rl)*a - | ^ -Warning: 'rq' may be used uninitialized [-Wmaybe-uninitialized] -mm_link.F:812:25: - - 812 | double precision rq,rl,rh - | ^ -note: 'rq' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/mm' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libmm.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-openmpi/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 @@ -67539,11 +67496,11 @@ make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dntmc' Compiling dntmc_input.F... Compiling dntmc_setgeom.F... +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dntmc' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dntmc' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -67708,13 +67665,13 @@ Making libraries in dangchang make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dangchang' Compiling dc_initialize.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dc_setgeom.F... +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dangchang' +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dangchang' f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -67805,69 +67762,49 @@ Making libraries in dimqm make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/dimqm' Compiling dimqm_input.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] Compiling dimpar_input.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dimqm_prep.F... +Compiling dimqm_main.F... +Compiling dimqm_polarizability.F... +Compiling dimqm_f2d.F... +Compiling dimqm_iterative.F... +Compiling qmr_real.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dimqm_prep.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling qmr_complex.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dimqm_main.F... -Compiling dimqm_polarizability.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_f2d.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling dimqm_iterative.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmr_real.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling matvecComplex.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling matvecReal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling matvecComplex.F... Compiling dimqm_EqmE.F... -Compiling qmr_complex.F... -Compiling matvecReal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -67880,33 +67817,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling t2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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)). -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)). -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)). dimqm_main.F:89:55: 81 | if(.not. rtdb_get(rtdb,'dimpar:coords',mt_dbl,i3,dimxyz)) @@ -67931,6 +67845,14 @@ 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)). +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)). dimqm_main.F:244:72: 244 | $ call errquit("dimqm_main: can't free l_muold", MA_ERR) @@ -67941,6 +67863,37 @@ 246 | $ call errquit("dimqm_main: can't free l_eqmn", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) +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)). +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)). +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)). +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 t2.F... dimqm_prep.F:238:33: 235 | $ mt_int, 1, iexp)) @@ -67965,6 +67918,10 @@ 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)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling pphilo.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -67986,48 +67943,49 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dimqm_energy.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling dimqm_printDipole.F... Compiling dimqm_Dens2Dipoles.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling dimqm_indDipoles.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dimqm_indDipoles.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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_printAtoms.F... -Compiling dimqm_addop.F... -Compiling dimqm_lclfld.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling dimqm_printAtoms.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling dimqm_addop.F... +Compiling dimqm_lclfld.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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 seeded_qmr_real.F... dimqm_printAtoms.F:39:59: 37 | $ elements)) @@ -68036,13 +67994,12 @@ 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 seeded_qmr_real.F... -Compiling seeded_qmr_real_augment.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling qmr_seed_real.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmr_seed_real.F... +Compiling seeded_qmr_real_augment.F... dimqm_addop.F:294:63: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) @@ -68103,25 +68060,11 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dimqm_tidy.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling qmr_seed_complex.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling seeded_qmr_complex.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dimqm_tidy.F... dimqm_lclfld.F:199:21: 81 | call ga_zero(g_dipel_i) @@ -68130,27 +68073,18 @@ 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 dimqm_broadcast.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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). seeded_qmr_real_augment.F:130:62: 120 | if(.not.rtdb_get(rtdb,'seed:k', mt_int, 1, k)) @@ -68167,16 +68101,8 @@ 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)). -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 dim_fock_xc.F... -Compiling CubicSpline.F... +Compiling qmr_seed_complex.F... +Compiling seeded_qmr_complex.F... seeded_qmr_real.F:121:38: 109 | if(.not.rtdb_get(rtdb,'seed:k'//dir, mt_int, 1, k)) @@ -68185,6 +68111,50 @@ 121 | $ mt_dbl, 1, sinn)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dimqm_broadcast.F... +Compiling CubicSpline.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dim_fock_xc.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dim_getv.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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)). seeded_qmr_complex.F:128:37: 116 | if(.not.rtdb_get(rtdb,'seed:k'//dir//'c', mt_int, 1, k)) @@ -68208,10 +68178,7 @@ 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)). -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dim_tabcd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -68224,16 +68191,6 @@ 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 dim_getv.F... -Compiling dim_tabcd.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] dim_getv.F:107:72: 107 | & time2_xc-time1_xc @@ -68255,12 +68212,12 @@ | ^ note: 'time2_xc' was declared here Compiling dim_eval_fnl.F... +Compiling dim_grid_quadv0.F... +Compiling dim_grid_quadv0a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dim_grid_quadv0.F... -Compiling dim_grid_quadv0a.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -68280,12 +68237,12 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling dimqm_util.F... -Compiling dimqm_addop_uhf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling dimqm_util.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling dimqm_addop_uhf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -68294,19 +68251,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -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) dimqm_util.F:73:57: 67 | if (.not. rtdb_get(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) @@ -68323,6 +68267,19 @@ 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)). +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) dimqm_addop_uhf.F:454:33: 449 | $ g_dcv, 1, nbf, 1, nbf, @@ -68398,16 +68355,16 @@ Making libraries in fcidump make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/fcidump' Compiling fcidump_inp.F... +Compiling task_fcidump.F... +Compiling fcidump_header.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling task_fcidump.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling fcidump_header.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -68447,26 +68404,65 @@ Making libraries in gwmol make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol' Compiling gwmol.F... +Compiling ga_chol_inv_seq.F... +Compiling gw_input.F... +Compiling gw_defaults.F... +Compiling gw_init.F... +Compiling gw_finalize.F... +Compiling gw_memory.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ga_chol_inv_seq.F... -Compiling gw_input.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling gw_vxc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -Compiling gw_defaults.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling gw_donewton.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_init.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling gw_cdgw.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling gw_cdgw_buildin.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +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_cdgw_newton.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] gw_input.F:64:54: 62 | if (.not.rtdb_put(rtdb, 'gw:evgw0', mt_log, 1, .true.)) @@ -68507,49 +68503,21 @@ 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) -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_finalize.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_memory.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_vxc.F... -Compiling gw_donewton.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_cdgw.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_cdgw_buildin.F... -Compiling gw_cdgw_newton.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +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_init.F:83:56: 80 | if (.not.rtdb_get(pars%rtdb,'gw:init',mt_log,1,init)) @@ -68566,42 +68534,31 @@ 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) +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... +Compiling gw_analytic.F... +Compiling gw_analytic_newton.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_analytic.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_analytic_newton.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_analytic_graph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling gw_analytic_graph.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol' -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)). f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -68621,20 +68578,20 @@ 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)). -gw_analytic_graph.F:141:32: +gw_cdgw_graph.F:200:32: - 128 | call ga_brdcst(1038,converged,logs,0) + 182 | call ga_brdcst(1038,lvars,2*logs,0) | 2 ...... - 141 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) + 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)). -gw_cdgw_graph.F:200:32: +gw_analytic_graph.F:141:32: - 182 | call ga_brdcst(1038,lvars,2*logs,0) + 128 | call ga_brdcst(1038,converged,logs,0) | 2 ...... - 200 | call ga_brdcst(1038,eout,ma_sizeof(mt_dbl,1,mt_byte),0) + 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)). gw_cdgw_graph.F:326:72: @@ -68659,37 +68616,33 @@ note: 'nspace' was declared here Compiling gw_ri_init.F... Compiling gw_invdiag.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] 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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_analytic_wmn.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_analytic_sigmac.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_analytic_addrpa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_analytic_ovscale.F... -Compiling gw_analytic_rpa.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling gw_analytic_scalxpy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_analytic_scalxpy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -68698,7 +68651,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_analytic_sigmac_graph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -68707,6 +68659,7 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling gw_analytic_sigmac_graph.F... Compiling gw_minres.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -68717,22 +68670,21 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_cdgw_buildiw.F... -Compiling gw_cdgw_buildin_graph.F... -Compiling gw_cdgw_buildpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling gw_cdgw_buildiw.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling gw_cdgw_buildin_graph.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling gw_cdgw_buildpi.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling gw_cdgw_buildrn_minres.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -68765,6 +68717,11 @@ 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_minres.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] gw_cdgw_buildrn_minres.F:207:28: 173 | call ga_brdcst(1038,skip,ma_sizeof(mt_log,1,mt_byte),0) @@ -68793,16 +68750,6 @@ 57 | ISOGW,allocatable,dimension(:,:) :: factor, dfactor | ^ note: 'dfactor.offset' was declared here -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 gw_cdgw_buildpi.F:298:20: 298 | elseif (dorfp) then @@ -68813,6 +68760,16 @@ 40 | logical ok,dorfp | ^ note: 'dorfp' was declared here +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 make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/gwmol' Got lock on /build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libgwmol.lock @@ -68843,6 +68800,13 @@ ../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... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -68851,19 +68815,14 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ydot.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ygemm.F... -Compiling ygemv.F... -Compiling iyamax.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ygesv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -68872,17 +68831,17 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ygesvd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling yaxpy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling yposv.F... Compiling yspsvx.F... +Compiling ysyev.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -68891,38 +68850,37 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling yposv.F... -Compiling ysyev.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ysyevd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling yger.F... +Compiling ysyevd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling yger.F... Compiling yrot.F... -Compiling ylaset.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling yswap.F... +Compiling ylaset.F... +Compiling ygebak.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling yswap.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ygebal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ygebak.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -68931,39 +68889,37 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ygebal.F... Compiling ynrm2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ylacpy.F... +Compiling ylascl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ylascl.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ylange.F... +Compiling ytrevc.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ytrevc.F... Compiling yhseqr.F... -Compiling yorghr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ygehrd.F... +Compiling yorghr.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -68972,18 +68928,18 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ygehrd.F... +Compiling ysterf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ysterf.F... -Compiling ylarnv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ylarnv.F... Compiling ylagtf.F... -Compiling ylagts.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -68992,31 +68948,32 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ylagts.F... Compiling yasum.F... +Compiling ypotri.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ypotri.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ysygv.F... Compiling ypotrf.F... -Compiling ygeev.F... +Compiling ysygv.F... Compiling ygeevx.F... +Compiling ygeev.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -69038,57 +68995,55 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ygtsv.F... Compiling ypftrf.F... +Compiling ypftri.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ytfsm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ypftri.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ytfsm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ygetrf.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ygetri.F... Compiling ygetrs.F... +Compiling ifily.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ifily.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling jscal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling jscal.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling jaxpy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling jgemm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling jheev.F... +Compiling jaxpy.F... +Compiling jgemm.F... Compiling jcopy.F... +Compiling jheev.F... +Compiling jdotc.F... +Compiling ijamax.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -69101,19 +69056,15 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling jdotc.F... -Compiling ijamax.F... +Compiling jgesvd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling jgesvd.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling jgeev.F... -Compiling jgetrs.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -69122,7 +69073,10 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling jgeev.F... +Compiling jgetrs.F... Compiling jgetrf.F... +Compiling jlacpy.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -69131,14 +69085,15 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling jlacpy.F... -Compiling ysfrk.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ysfrk.F... Compiling ysysv.F... +Compiling ysytrf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +Compiling ysytrs.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -69146,44 +69101,44 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ysytrf.F... +Compiling ysymm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ysytrs.F... -Compiling ysymm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ysymv.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ysyr2k.F... -Compiling ytrmm.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling ytrtri.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ysyr2k.F... +Compiling ytrmm.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling ytrtri.F... Compiling jlacp2.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] Compiling ysyrk.F... -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] @@ -69192,14 +69147,16 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling jsysv.F... -Compiling jsytrf.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +Compiling jsysv.F... +Compiling jsytrf.F... +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -69245,6 +69202,7 @@ make[2]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' Compiling util_module_avail.F... Compiling util_version.F... +Compiling util_nwchem_version.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -69253,7 +69211,6 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -Compiling util_nwchem_version.F... f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] @@ -69263,8 +69220,8 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] -make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' Making all in md5 +make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src/util/md5' make[3]: Nothing to be done for '/build/reproducible-path/nwchem-7.2.3/build-openmpi/lib/LINUX64/libnwcutil.a'. @@ -69292,9 +69249,9 @@ f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] -f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] +f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/fortran/gfortran-mod-15/openmpi' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '/usr/lib/x86_64-linux-gnu/openmpi/lib' [-Wmissing-include-dirs] make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-openmpi/src' @@ -72869,7 +72826,7 @@ converting tce_mrcc_ao2e.F to 32-bit integers for BLAS/LAPACK converting tce_subnxtask.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_sublock.F to 32-bit integers for BLAS/LAPACK -Could not open file: tce_mrcc_sublock.F.2893863 +Could not open file: tce_mrcc_sublock.F.3272578 converting eaf_mrcc.F to 32-bit integers for BLAS/LAPACK converting tce_t3ac_offset.F to 32-bit integers for BLAS/LAPACK converting tce_t4ac_offset.F to 32-bit integers for BLAS/LAPACK @@ -73050,21 +73007,21 @@ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F -echo "# Request modules from user: pnnl" >> nwchem_config.h -echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done -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 "# Request modules from user: pnnl" >> nwchem_config.h +echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG echo The following subdirectories are built: >> NWCHEM_CONFIG +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 cat util_module_avail_F.end >> ../util/util_module_avail.F -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 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 "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo corresponding to these libraries: >> NWCHEM_CONFIG -echo "CONFIG_LIBS = " >> 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 -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 "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h echo >> NWCHEM_CONFIG +echo "CONFIG_LIBS = " >> nwchem_config.h 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 @@ -73086,14 +73043,14 @@ sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \ done echo "c This function was auto generated by make_nwchem_config" >> ../util/util_module_avail.F -echo "# Request modules from user: pnnl" >> nwchem_config.h for module in NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dimqm dntmc dplot drdy driver esp etrans fcidump fft gradients gwmol hessian mcscf mm moints mp2_grad nwdft nwmd nwpw optim perfm prepar property python qhop qmd qmmm rimp2 selci solvation space stepper symmetry tce vib vscf; do \ echo " case (\""$module"\")" >> ../util/util_module_avail.F ; \ done +echo "# Request modules from user: pnnl" >> nwchem_config.h echo "# Request modules from user: pnnl" >> NWCHEM_CONFIG 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 The following subdirectories are built: >> NWCHEM_CONFIG cat util_module_avail_F.end >> ../util/util_module_avail.F +echo The following subdirectories are built: >> NWCHEM_CONFIG 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 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 "EXCLUDED_SUBDIRS = develop nwxc scfaux rimp2_grad argos diana uccsdt rism geninterface smd nbo leps lucia rdmft xtb" >> nwchem_config.h @@ -74598,8 +74555,8 @@ Making libraries in basis make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/basis' Compiling basis.F... -Compiling bas_contrib.F... Compiling bas_input.F... +Compiling bas_contrib.F... Compiling bas_checksum.F... Compiling basisP.F... Compiling bas_blas.F... @@ -74652,11 +74609,23 @@ Compiling geom_input.F... Compiling geom_input2.F... Compiling geom_3d.F... +Compiling geom_2d.F... +Compiling geom_1d.F... Compiling geom_numcore.F... Compiling geom_checksum.F... -Compiling geom_1d.F... -Compiling geom_2d.F... Compiling geom_print_ecce.F... +Compiling geom_freeze.F... +Compiling geom_fragment.F... +Compiling geom_getsym.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)). +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/geom' geom_numcore.F:107:51: 100 | if(rtdb_get(rtdb, key, mt_int, 1, num_elem)) then @@ -74673,18 +74642,6 @@ 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_freeze.F... -Compiling geom_fragment.F... -Compiling geom_getsym.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)). -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/geom' geom_getsym.F:87:16: 87 | if (ncenter_before_auto .gt. ncenter) call errquit @@ -74735,6 +74692,7 @@ 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_hnd.F... geom_input.F:4587:12: 4587 | IF(ATOMIC) WRITE(IW,*) 'THIS IS AN ATOM' @@ -74770,17 +74728,6 @@ 4482 | integer kat,k,JJC4,JJS4,jjc2,j,i | ^ note: 'k' was declared here -geom_input.F:4125:72: - - 4125 | return - | ^ -Warning: '__result_geom_lst_get_coord' may be used uninitialized [-Wmaybe-uninitialized] -geom_input.F:4058:41: - - 4058 | logical function geom_lst_get_coord(x,y,z,n,irc) - | ^ -note: '__result_geom_lst_get_coord' was declared here -Compiling geom_hnd.F... geom_hnd.F:4628:12: 4627 | 120 DO 260 NR=1,N2 @@ -74796,6 +74743,16 @@ 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)). +geom_input.F:4125:72: + + 4125 | return + | ^ +Warning: '__result_geom_lst_get_coord' may be used uninitialized [-Wmaybe-uninitialized] +geom_input.F:4058:41: + + 4058 | logical function geom_lst_get_coord(x,y,z,n,irc) + | ^ +note: '__result_geom_lst_get_coord' was declared here geom_input.F:2866:72: 2866 | gamma = sign(gamma,aijkl) @@ -74876,8 +74833,8 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/geom' Making libraries in inp make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/inp' -Compiling c_inp.c... Compiling hnd_rdfree.F... +Compiling c_inp.c... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/inp' Compiling inp.F... Compiling inp_irange.F... @@ -74926,11 +74883,13 @@ Making libraries in input make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/input' Compiling input_parse.F... -Compiling memory_input.F... Compiling input_mem.F... +Compiling memory_input.F... Compiling input_set.F... Compiling input_title.F... Compiling get_inp_file.F... +Compiling memory_def.F... +Compiling speech_input.F... input_set.F:173:12: 170 | $ int_mb(i_values)) @@ -74939,7 +74898,6 @@ 173 | $ dbl_mb(i_values)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). -Compiling memory_def.F... input_mem.F:66:33: 63 | call brdcst(Msg_HeapMem, heap_size, mitob1, 0) @@ -74948,7 +74906,6 @@ 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 speech_input.F... input_set.F:153:21: 153 | if (.not. status) call errquit @@ -74987,9 +74944,10 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/pstat' Making libraries in rtdb make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb' -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb' Making all in hdbm +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb/hdbm' +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb/hdbm' Compiling rtdb_f2c.c... Compiling rtdb.c... Compiling rtdb_seq.c... @@ -75025,7 +74983,6 @@ rtdb.h:166:42: note: previously declared as an array 'char[36]' 166 | extern int rtdb_seq_getfname(const int, char [36]); | ^~~~~~~~~ -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/rtdb/hdbm' rtdb.c: In function 'rtdb_getfname': rtdb.c:219:10: warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] 219 | return status; @@ -75095,29 +75052,17 @@ Compiling task_dynamics.F... Compiling task_thermo.F... Compiling task_et.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)). -task_gradient.F:560:50: +Compiling task_save_state.F... +Compiling task.F... +Compiling task_input.F... +Compiling task_shell_input.F... +task_et.F:46:57: - 320 | $ numerical)) numerical = .false. - | 2 + 40 | if (.not. rtdb_put(rtdb, 'task:et', mt_dbl, 1, Vba)) + | 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.)) + 46 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, status)) | 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)). task_thermo.F:80:61: @@ -75127,15 +75072,14 @@ 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)). -task_dynamics.F:94:61: +task_freq.F:131:58: - 68 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) - | 2 + 63 | 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 + 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_save_state.F... task_energy.F:284:59: 281 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) @@ -75168,7 +75112,6 @@ 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.F... task_energy.F:163:59: 163 | if (.not. rtdb_put(rtdb, 'task:walltime', mt_dbl, 1, wall)) @@ -75177,7 +75120,31 @@ 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_input.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)). +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_num_grad.F... task_hessian.F:246:53: 180 | if (.not. rtdb_get(rtdb,'bsse',mt_log,1,task_bsse)) @@ -75194,25 +75161,9 @@ 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_shell_input.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)). -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_num_grad.F... Compiling task_vscf.F... +Compiling task_property.F... +Compiling task_dntmc.F... task_hessian.F:302:72: 302 | end @@ -75231,8 +75182,31 @@ 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_property.F... -Compiling task_dntmc.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_bsse.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)). task_dntmc.F:77:61: 61 | if (.not. rtdb_put(rtdb, 'task:status', mt_log, 1, .false.)) @@ -75241,9 +75215,6 @@ 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... -Compiling task_jefftce.F... -Compiling task_ncc.F... task_num_grad.F:285:52: 185 | if (.not.rtdb_get(rtdb,'gradient:usegroups',MT_LOG,1,use_groups)) @@ -75260,23 +75231,9 @@ 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_jefftce.F... +Compiling task_ncc.F... Compiling task_rfcf.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_gwmol.F... task_rfcf.F:117:61: @@ -75366,13 +75323,12 @@ Compiling gensym_extra.F... Compiling sym_vec_sym.F... Compiling ludcmp.F... -Compiling opprint.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... gensym_extra.F:59:10: 59 | if (lgth.gt.0) then @@ -75383,27 +75339,28 @@ 32 | integer iop,lgth,unitf,print_level,i,j | ^ note: 'lgth' was declared here +Compiling sym_apply_op.F... Compiling sym_get_cart.F... +Compiling sym_grp_name.F... sym_vec_sym.F:99:36: 99 | integer isphcart, i_nbf_per_sh | ^ Warning: 'i_nbf_per_sh' may be used uninitialized [-Wmaybe-uninitialized] -Compiling sym_grp_name.F... +Compiling sym_ap_cart.F... gensym.f:314:13: 314 | isym=nops*3 | ^ Warning: 'isym' may be used uninitialized [-Wmaybe-uninitialized] -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 sym_op_cname.F... Compiling cross_prod.F... +Compiling sym_op_cname.F... Compiling sym_pr_ops.F... Compiling deter3.F... Compiling sym_op_clsfy.F... @@ -75425,12 +75382,11 @@ | ^ note: 'itrace' was declared here Compiling sym_g_sym.F... +Compiling wrcell.F... Compiling dctr.f... Compiling sym_irrepname.F... -Compiling wrcell.F... Compiling sym_abelian.F... Compiling sym_mol.F... -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/symmetry' sym_mo_adapt.F:324:30: 323 | call ga_igop(msg_sym_1, nmixed, 1, '+') @@ -75438,6 +75394,7 @@ 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) +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/symmetry' Compiling sym_sym.F... Compiling sym_mo_ap_op.F... Compiling sym_bas_op.F... @@ -75454,8 +75411,8 @@ Making libraries in util make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' Compiling output.f... -Compiling ffflush.F... Compiling errquit.F... +Compiling ffflush.F... Compiling print_center.F... Compiling util_flush.F... Compiling util_sgroup.F... @@ -75466,10 +75423,21 @@ Compiling ga_iter_diag.F... Compiling ga_maxelt.F... Compiling nga_idamax.F... -Compiling line_search.F... Compiling ga_pcg_min.F... +Compiling line_search.F... Compiling ga_orth_vec.F... Compiling ga_ran_fill.F... +Compiling ga_mix.F... +Compiling ga_list.F... +Compiling ga_it_proj.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)). ga_iter_diag.F:377:72: 377 | end @@ -75480,9 +75448,6 @@ 83 | logical converged | ^ note: 'converged' was declared here -Compiling ga_mix.F... -Compiling ga_list.F... -Compiling ga_it_proj.F... ga_ran_fill.F:40:53: 35 | call ga_put(g_a, ibot, itop, j, j, buf, bufsiz) @@ -75493,26 +75458,22 @@ Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). Compiling ga_screen.F... Compiling ga_get_diag.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 fortchar.c... Compiling seq_output.F... Compiling ga_mat2col.F... -Compiling util_ch_brd.F... fortchar.c: In function 'fcrcv_': fortchar.c:125:47: warning: array subscript 256 is above array bounds of 'char[256]' [-Warray-bounds=] 125 | } while ( clength == lenbuf && cstring[clength] != '\0'); | ~~~~~~~^~~~~~~~~ +Compiling util_ch_brd.F... fortchar.c:106:10: note: while referencing 'cstring' 106 | char cstring[FC_MAXLEN]; | ^~~~~~~ Compiling two_ind_trn.F... +Compiling util_pname.F... +Compiling sread.F... +Compiling swrite.F... +Compiling banner.f... util_ch_brd.F:35:42: 31 | call ga_brdcst(type, ls, mitob1, origin) @@ -75521,10 +75482,6 @@ 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 util_pname.F... -Compiling sread.F... -Compiling swrite.F... -Compiling util_print.F... swrite.F:17:62: 17 | if (left.ne.0) call errquit('swrite: left .ne. 0',left, DISK_ERR) @@ -75533,9 +75490,9 @@ 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... -cp util_v_stub.F util_version.F +Compiling util_print.F... Compiling util_module_avail.F... +cp util_v_stub.F util_version.F Compiling util_nwchem_version.F... Compiling util_ga_version.F... Compiling util_nwchem_paper.F... @@ -75547,6 +75504,7 @@ Compiling ga_local_mdot.F... Compiling util_cpusec.F... Compiling util_wallsec.F... +Compiling gather.f... mk_fit_xf.F:95:10: 95 | If (Type .eq. 1) then @@ -75567,8 +75525,9 @@ 61 | Logical Status, DoSplit | ^ note: 'dosplit' was declared here -Compiling gather.f... Compiling scatter.f... +Compiling ga_trace_dg.F... +Compiling lcopy.f... ga_local_mdot.F:148:36: 63 | call dfill(nva*nvb, 0.0d0, dbl_mb(k_work), 1) @@ -75577,13 +75536,12 @@ 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 ga_trace_dg.F... -Compiling lcopy.f... Compiling util_legal.F... -Compiling util_io_unit.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_legal.F:335:16: 335 | do while (next_line(ibegin,iend,ilen,',',newchr(1:len_newchr))) @@ -75595,9 +75553,7 @@ | ^ note: 'len_newchr' was declared here Compiling util_file_unlink.c... -Compiling util_file_copy.c... Compiling util_system.c... -Compiling util_sleep.c... util_file_copy.c: In function 'util_file_parallel_copy': util_file_copy.c:86:34: warning: unused variable 'msgbuf' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; @@ -75605,6 +75561,7 @@ util_file_copy.c:86:22: warning: unused variable 'msgnread' [-Wunused-variable] 86 | Integer nread, msgnread=44,msgbuf=45,msglen=sizeof(Integer),node0=0; | ^~~~~~~~ +Compiling util_sleep.c... Compiling util_rtdb_state.F... util_system.c: In function 'util_system_': util_system.c:40:16: warning: unused variable 'Siginit' [-Wunused-variable] @@ -75613,8 +75570,8 @@ util_system.c:39:9: warning: unused variable 'i' [-Wunused-variable] 39 | int i; | ^ -Compiling util_random.F... Compiling ecce_print.c... +Compiling util_random.F... Compiling util_job.F... Compiling util_getenv.F... Compiling util_getarg.F... @@ -75631,6 +75588,7 @@ Compiling nw_inp_from_file.F... Compiling bgj.F... Compiling movecs_ecce.F... +Compiling get_density.F... util_md.F:118:37: 101 | if(lpara) call ga_dgop(mag_d08,xt,3,'+') @@ -75663,15 +75621,7 @@ 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) -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 get_density.F... +Compiling moeig_read.F... movecs_ecce.F:122:38: 120 | call ecce_print1(ceval, mt_dbl, eval, nmo) @@ -75680,8 +75630,6 @@ 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 moeig_read.F... -Compiling util_debug.c... nw_inp_from_file.F:46:72: 46 | end @@ -75692,6 +75640,15 @@ 1 | logical function nw_inp_from_character(rtdb, string) | ^ note: '__result_nw_inp_from_characte' was declared here +Compiling util_debug.c... +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)). bgj.F:399:60: 69 | & 1, itype)) then @@ -75717,8 +75674,6 @@ Compiling ma_print.F... Compiling freeze_input.F... Compiling ga_extra.F... -Compiling util_test.F... -Compiling util_ga_test.F... freeze_input.F:83:51: 59 | if (.not. rtdb_put(rtdb, key, mt_log, 1, .true.)) @@ -75727,11 +75682,11 @@ 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 util_test.F... +Compiling util_ga_test.F... Compiling util.c... Compiling util_patch_test.F... Compiling util_ndim_test.F... -Compiling util_perf_test.F... -Compiling util_test_lu.F... ga_it2.F:969:55: 966 | call ga_put(g_a, 1, nsub-1, 1, nsub-1, a, maxmaxsub) @@ -75812,7 +75767,10 @@ 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 util_perf_test.F... +Compiling util_test_lu.F... Compiling util_test_eig.F... +Compiling util_dra_test.F... util_patch_test.F:626:42: 626 | call ga_fill_patch(g_a, 2,n/2, 2,n, val) @@ -75877,32 +75835,6 @@ 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_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_ga_test.F:1198:35: 1198 | call ga_get(g_a, 1, n, 1, n, b, n) @@ -75975,17 +75907,33 @@ 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_sf_test.F... -Compiling ga_lkain_2cpl3.F... -Compiling util_io.F... -util_eaf_test.F:371:30: +util_dra_test.F:101:38: - 190 | $ DMAP(iter), - | 2 + 101 | call ga_put(g_a, 1, n, j, j, a(1, j), n) + | 1 ...... - 371 | ierr = eaf_write(fd, offset, buf, nwrite) - | 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... +Compiling util_sf_test.F... +Compiling ga_lkain_2cpl3.F... ga_extra.F:52:47: 44 | call ga_get(g_a, i, i, j, j, number, 1) @@ -76002,32 +75950,7 @@ 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)). -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_xyz.F... -Compiling util_ma.F... +Compiling util_io.F... ga_lkain_2cpl3.F:111:34: 95 | & converge_precond)) @@ -76060,6 +75983,40 @@ 1301 | call ga_print(g_x) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) +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_xyz.F... +Compiling util_ma.F... Compiling util_mpinap.c... Compiling ga_lkain_2cpl3_ext.F... Compiling util_dgeev.F... @@ -76070,10 +76027,6 @@ Compiling util_align.F... Compiling util_intrsc2008.F... Compiling util_fadvise.c... -./util_scalapack_info.bash -Compiling ga_conjg.F... -Compiling nwmolden.F... -Compiling ao_1prdm_read.F... ga_lkain_2cpl3.F:1025:14: 1025 | if (debug1) then @@ -76084,27 +76037,15 @@ 602 | logical debug1 | ^ note: 'debug1' was declared here +./util_scalapack_info.bash +Compiling ga_conjg.F... +Compiling nwmolden.F... +Compiling ao_1prdm_read.F... Compiling ao_1prdm_write.F... -Compiling util_poltensor.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... -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' -Making all in md5 -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' -Compiling util_version.F... -Compiling util_scalapack_info.F... util_md.F:852:72: 852 | b=a(i,k) @@ -76125,6 +76066,22 @@ 824 | integer idim,i,j,k,l,m | ^ note: 'k' was declared here +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... +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' +Making all in md5 +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' +Compiling util_version.F... +Compiling util_scalapack_info.F... ga_lkain_2cpl3_ext.F:5289:72: 5289 | & 'getdiffs_Az1z1: failed op ne +1 or -1') @@ -76177,19 +76134,20 @@ Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling md5wrap.c... Compiling md5.c... +/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies md5wrap.c:116:13: warning: 'checksum_string_to_sum' defined but not used [-Wunused-function] 116 | static void checksum_string_to_sum(const char csum[33], unsigned char sum[16]) | ^~~~~~~~~~~~~~~~~~~~~~ make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' -/build/reproducible-path/nwchem-7.2.3/build-mpich/bin/LINUX64/depend.x -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/include -I/usr/lib/aarch64-linux-gnu/mpich/include -I/usr/lib/aarch64-linux-gnu/mpich/include > dependencies -Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.lock -ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a md5wrap.o md5.o Compiling ga_matpow.F... Compiling util_pack.F... Compiling dabssum.F... -echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a -/build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a +Compiling dfill.F... Compiling dabsmax.F... +Compiling ifill.f... +Compiling mabyte_fill.F... +Compiling zfill.f... +Compiling ga_it_lsolve.F... util_pack.F:134:28: 77 | call ifill(ndo, 0, unpacked(i1-base), 1) @@ -76198,20 +76156,14 @@ 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)). -make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' -make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' -Compiling dfill.F... -Compiling ifill.f... -Compiling zfill.f... -Compiling mabyte_fill.F... -Compiling ga_it_lsolve.F... -Compiling idamin.f... Compiling ga_it_orth.F... Compiling ga_orthog.F... +Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.lock +ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a md5wrap.o md5.o +Compiling idamin.f... Compiling util_jacobi.F... -Compiling stpr_sjacobi.F... Compiling util_rsg.f... -Compiling util_memcpy.c... +Compiling stpr_sjacobi.F... ga_it_lsolve.F:235:72: 235 | convg_ratio = rnorm/rnorm_prev @@ -76222,16 +76174,18 @@ 77 | double precision rnorm, rnorm_prev, bnorm, convg_ratio | ^ note: 'rnorm_prev' was declared here +echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a +/build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a +Compiling util_memcpy.c... Compiling ga_accback.c... +make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' +make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' Compiling ga_asymmetr.c... Compiling util_gnxtval.c... Compiling nxtask.F... Compiling util_mirror.F... Compiling ga_copy_dz.F... Compiling dgami.f... -Compiling util_eri_cholesky.F... -Compiling util_test_cholesky.F... -Compiling util_sillysort.F... nxtask.F:125:72: 125 | end @@ -76242,9 +76196,11 @@ 36 | integer function nxtask0(nproc, ichunk, skipfirst) | ^ note: '__result_nxtask0' was declared here -Compiling util_talker.c... +Compiling util_eri_cholesky.F... +Compiling util_test_cholesky.F... nxtask.F:36:30: Warning: '__result_nxtask0' may be used uninitialized [-Wmaybe-uninitialized] -Compiling icopy.f... +Compiling util_talker.c... +Compiling util_sillysort.F... util_mirror.F:24:23: 24 | call nga_inquire(g_a, type, ndim, dims) @@ -76253,13 +76209,14 @@ 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 icopy.f... Compiling dsum.f... -Compiling dgefa.f... -Compiling zsum.f... util_talker.c: In function 'util_talker_': util_talker.c:23:19: warning: unused variable 'valread' [-Wunused-variable] 23 | int sock = 0, valread; | ^~~~~~~ +Compiling dgefa.f... +Compiling zsum.f... dgami.f:351:72: 351 | DCSEVL = 0.5D0*(B0-B2) @@ -76326,10 +76283,6 @@ Compiling chol_bcst.c... Compiling choleski9.c... Compiling ci_entry.c... -clustrxx5.c: In function 'clustrinv5_': -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; - | ^~~~ clustrxx4.c: In function 'clustrinv4_': clustrxx4.c:84:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 84 | DoublePrecision eps; @@ -76340,201 +76293,6 @@ clustrxx4.c:78:15: warning: variable 'naproc' set but not used [-Wunused-but-set-variable] 78 | Integer me, naproc, Zvec; | ^~~~~~ -pscale.c: In function 'pscale_': -pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] - 232 | nproc, msize, maxinfo; - | ^~~~~~~ -pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] - 232 | nproc, msize, maxinfo; - | ^~~~~ -pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] - 231 | Integer il, linfo, me, - | ^~ -pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] - 231 | Integer il, linfo, me, - | ^~~~~ -clustrfix.c: In function 'clustrfix_': -clustrfix.c:365:23: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-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]); - | ~^ ~~~~~~~~~~~~~~~~ - | | | - | int Integer {aka long int} - | %ld -clustrfix.c:365:30: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-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]); - | ~^ ~~~~~~~~~~~~~~~~~~ - | | | - | int Integer {aka long int} - | %ld -clustrfix.c:365:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-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]); - | ~^ ~~~~~~~~~~~~~~~~~~ - | | | - | int Integer {aka long int} - | %ld -clustrfix.c:365:42: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-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]); - | ~^ ~~~~~~~~~~~~~~~~~~ - | | | - | int Integer {aka long int} - | %ld -clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] - 139 | DoublePrecision eps, xj1, xj2; - | ^~~ -clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] - 134 | Integer me; - | ^~ -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:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] - 127 | Integer jblk, nblk; - | ^~~~ -b_ortho.c: In function 'b_ortho': -b_ortho.c:190:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", - | ~^ - | | - | int - | %ld - 191 | *m, *n, me); - | ~~ - | | - | Integer {aka long int} -b_ortho.c:190:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", - | ~^ - | | - | int - | %ld - 191 | *m, *n, me); - | ~~ - | | - | Integer {aka long int} -b_ortho.c:190:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", - | ~^ - | | - | int - | %ld - 191 | *m, *n, me); - | ~~ - | | - | Integer {aka long int} -peigs_dlasq1.c: In function 'peigs_dlasq1': -clustrfix.c: At top level: -clustrfix.c:62:16: warning: 'clustr_check' defined but not used [-Wunused-function] - 62 | static Integer clustr_check(c1, cn, imin, imax) - | ^~~~~~~~~~~~ -peigs_dlasq1.c:33:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] - 33 | printf(" error in ylasq1 info = %d \n", *info ); - | ~^ ~~~~~ - | | | - | int Integer {aka long int} - | %ld -peigs_dlasq1.c:34:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 34 | sprintf( filename, "pdspevx.%d", me); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld -peigs_dlasq1.c:37:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 37 | fprintf(file, " %d %20.16f %20.16f \n", iii, dplus[iii], lplus[iii]); - | ~^ ~~~ - | | | - | int Integer {aka long int} - | %ld -peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] - 12 | Integer i, j, iii, me, nproc; - | ^~~~~ -peigs_dlasq1.c:39:5: warning: pointer 'file' used after 'fclose' [-Wuse-after-free] - 39 | fflush(file); - | ^~~~~~~~~~~~ -peigs_dlasq1.c:38:5: note: call to 'fclose' here - 38 | fclose(file); - | ^~~~~~~~~~~~ -pstein5.c: In function 'pstein5': -pstein5.c:232:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 233 | msg, me, -linfo ); - | ~~ - | | - | Integer {aka long int} -pstein5.c:232:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 233 | msg, me, -linfo ); - | ~~~~~~ - | | - | Integer {aka long int} -pstein5.c:300:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 300 | printf( " %s me = %d argument %d has an illegal value. \n", - | ~^ - | | - | int - | %ld - 301 | msg, me, -linfo); - | ~~ - | | - | Integer {aka long int} -pstein5.c:300:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 300 | printf( " %s me = %d argument %d has an illegal value. \n", - | ~^ - | | - | int - | %ld - 301 | msg, me, -linfo); - | ~~~~~~ - | | - | Integer {aka long int} -pstein5.c:444:29: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", - | ~^ - | | - | int - | %ld - 445 | me, isize, neigval ); - | ~~ - | | - | Integer {aka long int} -pstein5.c:444:58: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", - | ~^ - | | - | int - | %ld - 445 | me, isize, neigval ); - | ~~~~~ - | | - | Integer {aka long int} -pstein5.c:444:71: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", - | ~^ - | | - | int - | %ld - 445 | me, isize, neigval ); - | ~~~~~~~ - | | - | Integer {aka long int} -chol_bcst.c: In function 'chol_pipe_bcast': -chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] - 97 | Integer *junk, k, isize; - | ^~~~~ -mgscs.c: In function 'mgscs': -mgscs.c:184:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 184 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld ci_entry.c: In function 'ci_entry': ci_entry.c:122:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 122 | printf(" Peigs: ci_entry_ node %d : Mapping problem\n", *me); @@ -76586,59 +76344,174 @@ | | | | int Integer {aka long int} | %ld +mgscs.c: In function 'mgscs': ci_entry.c: In function 'fil_mapvec_': +mgscs.c:184:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 184 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +pstein5.c: In function 'pstein5': +pstein5.c:232:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 233 | msg, me, -linfo ); + | ~~ + | | + | Integer {aka long int} ci_entry.c:396:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 396 | printf(" Peigs: fil_mapvec_ node %d : first argument is NULL \n", mxmynd_()); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld +pstein5.c:232:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 232 | printf( " %s me = %d argument %d is a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 233 | msg, me, -linfo ); + | ~~~~~~ + | | + | Integer {aka long int} ci_entry.c:397:19: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 397 | printf("me = %d fil_mapvec_ \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld +clustrfix.c: In function 'clustrfix_': ci_entry.c:402:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~~~~~~~ | | | | int Integer {aka long int} | %ld +pstein5.c:300:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 300 | printf( " %s me = %d argument %d has an illegal value. \n", + | ~^ + | | + | int + | %ld + 301 | msg, me, -linfo); + | ~~ + | | + | Integer {aka long int} +clustrfix.c:365:23: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-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]); + | ~^ ~~~~~~~~~~~~~~~~ + | | | + | int Integer {aka long int} + | %ld +pstein5.c:300:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 300 | printf( " %s me = %d argument %d has an illegal value. \n", + | ~^ + | | + | int + | %ld + 301 | msg, me, -linfo); + | ~~~~~~ + | | + | Integer {aka long int} ci_entry.c:402:60: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 402 | printf(" Peigs: fil_mapvec_ node %d : first argument %d out of bounds \n", mxmynd_(), *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld +clustrfix.c:365:30: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-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]); + | ~^ ~~~~~~~~~~~~~~~~~~ + | | | + | int Integer {aka long int} + | %ld ci_entry.c:403:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 403 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld +clustrfix.c:365:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-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]); + | ~^ ~~~~~~~~~~~~~~~~~~ + | | | + | int Integer {aka long int} + | %ld ci_entry.c:408:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 408 | printf(" Peigs: fil_mapvec_ node %d : 2nd argument is NULL i\n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld -choleski9.c: In function 'sub_chol0': -choleski9.c:292:17: warning: variable 'root' set but not used [-Wunused-but-set-variable] - 292 | long length, root; - | ^~~~ +clustrxx5.c: In function 'clustrinv5_': +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; + | ^~~~ +pstein5.c:444:29: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", + | ~^ + | | + | int + | %ld + 445 | me, isize, neigval ); + | ~~ + | | + | Integer {aka long int} +clustrfix.c:365:42: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-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]); + | ~^ ~~~~~~~~~~~~~~~~~~ + | | | + | int Integer {aka long int} + | %ld +clustrfix.c:139:19: warning: variable 'eps' set but not used [-Wunused-but-set-variable] + 139 | DoublePrecision eps, xj1, xj2; + | ^~~ +clustrfix.c:134:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] + 134 | Integer me; + | ^~ +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; + | ^~~~~~~~~~~ ci_entry.c:409:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 409 | printf("fil_mapvec_ %d \n", i); | ~^ ~ | | | | int Integer {aka long int} | %ld +clustrfix.c:127:11: warning: variable 'jblk' set but not used [-Wunused-but-set-variable] + 127 | Integer jblk, nblk; + | ^~~~ +pstein5.c:444:58: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", + | ~^ + | | + | int + | %ld + 445 | me, isize, neigval ); + | ~~~~~ + | | + | Integer {aka long int} ci_entry.c:413:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 413 | printf(" Peigs: fil_mapvec_ node %d : Mapping problem second argument is invalid \n", *me); | ~^ ~~~ | | | | int Integer {aka long int} | %ld +pstein5.c:444:71: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 444 | fprintf(stderr, " Node %d: error in clustrf isize = %d neigval = %d \n", + | ~^ + | | + | int + | %ld + 445 | me, isize, neigval ); + | ~~~~~~~ + | | + | Integer {aka long int} ci_entry.c:414:26: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 414 | printf("fil_mapvec_ %d \n", i); | ~^ ~ @@ -76657,6 +76530,10 @@ | | | | int Integer {aka long int} | %ld +chol_bcst.c: In function 'chol_pipe_bcast': +chol_bcst.c:97:21: warning: variable 'isize' set but not used [-Wunused-but-set-variable] + 97 | Integer *junk, k, isize; + | ^~~~~ ci_entry.c:427:42: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 427 | printf(" Peigs: fil_mapvec_ node %d : 3rd argument error. \n", *me); | ~^ ~~~ @@ -76675,6 +76552,10 @@ | | | | int Integer {aka long int} | %ld +clustrfix.c: At top level: +clustrfix.c:62:16: warning: 'clustr_check' defined but not used [-Wunused-function] + 62 | static Integer clustr_check(c1, cn, imin, imax) + | ^~~~~~~~~~~~ ci_entry.c:433:40: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] 433 | printf(" Peigs: fil_mapvec_ node %d : 4th argument error. \n", *me); | ~^ ~~~ @@ -76702,16 +76583,87 @@ | | | | int Integer {aka long int} | %ld +pscale.c: In function 'pscale_': +pscale.c:232:20: warning: variable 'maxinfo' set but not used [-Wunused-but-set-variable] + 232 | nproc, msize, maxinfo; + | ^~~~~~~ +pscale.c:232:6: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] + 232 | nproc, msize, maxinfo; + | ^~~~~ +pscale.c:231:31: warning: variable 'me' set but not used [-Wunused-but-set-variable] + 231 | Integer il, linfo, me, + | ^~ +pscale.c:231:24: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] + 231 | Integer il, linfo, me, + | ^~~~~ +peigs_dlasq1.c: In function 'peigs_dlasq1': +peigs_dlasq1.c:33:38: warning: format '%d' expects argument of type 'int', but argument 2 has type 'Integer' {aka 'long int'} [-Wformat=] + 33 | printf(" error in ylasq1 info = %d \n", *info ); + | ~^ ~~~~~ + | | | + | int Integer {aka long int} + | %ld +peigs_dlasq1.c:34:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 34 | sprintf( filename, "pdspevx.%d", me); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +peigs_dlasq1.c:37:24: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 37 | fprintf(file, " %d %20.16f %20.16f \n", iii, dplus[iii], lplus[iii]); + | ~^ ~~~ + | | | + | int Integer {aka long int} + | %ld +peigs_dlasq1.c:12:26: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] + 12 | Integer i, j, iii, me, nproc; + | ^~~~~ +b_ortho.c: In function 'b_ortho': +b_ortho.c:190:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", + | ~^ + | | + | int + | %ld + 191 | *m, *n, me); + | ~~ + | | + | Integer {aka long int} +b_ortho.c:190:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", + | ~^ + | | + | int + | %ld + 191 | *m, *n, me); + | ~~ + | | + | Integer {aka long int} +b_ortho.c:190:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 190 | "Error in routine b_ortho. m (=%d) < n (=%d). me = %d \n", + | ~^ + | | + | int + | %ld + 191 | *m, *n, me); + | ~~ + | | + | Integer {aka long int} +Compiling conjug22.c... +peigs_dlasq1.c:39:5: warning: pointer 'file' used after 'fclose' [-Wuse-after-free] + 39 | fflush(file); + | ^~~~~~~~~~~~ +peigs_dlasq1.c:38:5: note: call to 'fclose' here + 38 | fclose(file); + | ^~~~~~~~~~~~ +choleski9.c: In function 'sub_chol0': +choleski9.c:292:17: warning: variable 'root' set but not used [-Wunused-but-set-variable] + 292 | long length, root; + | ^~~~ choleski9.c:292:9: warning: variable 'length' set but not used [-Wunused-but-set-variable] 292 | long length, root; | ^~~~~~ Compiling de_sym.c... -Compiling conjug22.c... -de_sym.c: In function 'un_load': -de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] - 250 | Integer indx, jndx, j, k, icount; - | ^~~~~~ -Compiling exit2.c... Compiling exit.c... conjug22.c: In function 'lsl_conjugation2': conjug22.c:95:41: warning: variable 'iptr' set but not used [-Wunused-but-set-variable] @@ -76720,21 +76672,10 @@ conjug22.c:94:34: warning: variable 'linfo' set but not used [-Wunused-but-set-variable] 94 | Integer i, me, nvecsA, nvecsB, linfo, id; | ^~~~~ -Compiling forLL.c... -exit2.c: In function 'l_exit_': -exit2.c:61:39: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld -exit2.c:61:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); - | ~^ ~~~~~ - | | | - | int Integer {aka long int} - | %ld -Compiling forLU.c... +de_sym.c: In function 'un_load': +de_sym.c:250:29: warning: variable 'icount' set but not used [-Wunused-but-set-variable] + 250 | Integer indx, jndx, j, k, icount; + | ^~~~~~ exit.c: In function 'g_exit2_': exit.c:78:35: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 78 | fprintf(stderr, "G_EXIT2: Node %d Error. A routine called g_exit2_, \n", me); @@ -76767,16 +76708,26 @@ | | | | int Integer {aka long int} | %ld +Compiling exit2.c... +Compiling forLL.c... +Compiling forLU.c... Compiling gmax.c... Compiling inverse.c... Compiling lu_mxm2.c... +exit2.c: In function 'l_exit_': +exit2.c:61:39: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +exit2.c:61:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 61 | fprintf(stderr, " %s My node id = %d info = %d (l_exit_) \n", array, me, *info); + | ~^ ~~~~~ + | | | + | int Integer {aka long int} + | %ld Compiling mapdif.c... -mapdif.c: In function 'mapdif_': -mapdif.c:77:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] - 77 | Integer me; - | ^~ -Compiling mapdif1.c... -Compiling matmax.c... inverse.c: In function 'pipe_bcst_prev_col': inverse.c:91:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] 91 | Integer *junk, *ptr, k, isize; @@ -76785,29 +76736,22 @@ inverse.c:225:11: warning: variable 'length' set but not used [-Wunused-but-set-variable] 225 | Integer length; | ^~~~~~ +Compiling mapdif1.c... +mapdif.c: In function 'mapdif_': +mapdif.c:77:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] + 77 | Integer me; + | ^~ +Compiling matmax.c... +Compiling mdif2b.c... +Compiling mdiff1.c... mapdif1.c: In function 'mapdif1_': mapdif1.c:79:11: warning: variable 'me' set but not used [-Wunused-but-set-variable] 79 | Integer me; | ^~ -Compiling mdif2b.c... -Compiling mdiff1.c... -Compiling memreq_f.c... -Compiling memreq.c... Compiling mdiff2.c... +Compiling memreq.c... +Compiling memreq_f.c... Compiling mgs5.c... -memreq_f.c: In function 'fmemreq_': -memreq_f.c:168:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 168 | fprintf(stderr, " me = %d error in mapB in fmemreq.c \n", me); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld -memreq_f.c:184:31: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 184 | fprintf(stderr, " me = %d error in mapZ in fmemreq.c \n",me); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld memreq.c: In function 'memreq_': memreq.c:181:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 181 | fprintf(stderr, " me = %d error in mapB in memreq.c \n",me); @@ -76853,11 +76797,56 @@ | ^~~~~~~~~ Compiling mxm25.c... Compiling mxm5x.c... +memreq_f.c: In function 'fmemreq_': +memreq_f.c:168:33: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 168 | fprintf(stderr, " me = %d error in mapB in fmemreq.c \n", me); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +memreq_f.c:184:31: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 184 | fprintf(stderr, " me = %d error in mapZ in fmemreq.c \n",me); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld Compiling mxm88.c... Compiling mxm_ll1.c... Compiling onenorm.c... Compiling ortho.c... +ortho.c: In function 'ortho': +ortho.c:162:44: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", + | ~^ + | | + | int + | %ld + 163 | *m, *n, me); + | ~~ + | | + | Integer {aka long int} +ortho.c:162:54: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", + | ~^ + | | + | int + | %ld + 163 | *m, *n, me); + | ~~ + | | + | Integer {aka long int} +ortho.c:162:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", + | ~^ + | | + | int + | %ld + 163 | *m, *n, me); + | ~~ + | | + | Integer {aka long int} Compiling pdspev_c.c... +Compiling pdspevx.c... pdspev_c.c: In function 'pdspev': pdspev_c.c:287:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 287 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", msg, me, -linfo ); @@ -76926,42 +76915,8 @@ pdspev_c.c:206:28: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 206 | iub, nproc, isize, nvecsA, nvecsZ, linfo, maxinfo, | ^~~~~ -ortho.c: In function 'ortho': -ortho.c:162:44: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", - | ~^ - | | - | int - | %ld - 163 | *m, *n, me); - | ~~ - | | - | Integer {aka long int} -Compiling pdspevx.c... -ortho.c:162:54: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", - | ~^ - | | - | int - | %ld - 163 | *m, *n, me); - | ~~ - | | - | Integer {aka long int} -ortho.c:162:64: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 162 | "Error in routine ortho m (=%d) < n (=%d). me = %d \n", - | ~^ - | | - | int - | %ld - 163 | *m, *n, me); - | ~~ - | | - | Integer {aka long int} -Compiling pdspgv_c.c... -Compiling pdspgvx.c... -Compiling pdsptri.c... pdspevx.c: In function 'pdspevx': +Compiling pdspgv_c.c... pdspevx.c:353:34: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 353 | sprintf( filename, "pdspevx.%d", me); | ~^ ~~ @@ -77040,6 +76995,7 @@ | | | | int Integer {aka long int} | %ld +Compiling pdspgvx.c... pdspevx.c:937:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 937 | fprintf(stderr, " %s me = %d pstebz_ returned info = %d \n", msg, me, *info ); | ~^ ~~ @@ -77064,7 +77020,6 @@ | | | | int Integer {aka long int} | %ld -Compiling peigs_cmod.f... pdspevx.c:289:13: warning: variable 'iscale' set but not used [-Wunused-but-set-variable] 289 | Integer iscale; | ^~~~~~ @@ -77095,157 +77050,10 @@ pdspevx.c:266:7: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 266 | nproc, itmp, | ^~~~~ +Compiling pdsptri.c... +Compiling peigs_cmod.f... Compiling pipe_fut.c... -pdspgv_c.c: In function 'pdspgv': -pdspgv_c.c:319:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 320 | msg, me, -linfo ); - | ~~ - | | - | Integer {aka long int} -pdspgv_c.c:319:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 320 | msg, me, -linfo ); - | ~~~~~~ - | | - | Integer {aka long int} -pdspgv_c.c:352:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", - | ~^ - | | - | int - | %ld - 353 | msg, me, -linfo); - | ~~ - | | - | Integer {aka long int} -pdspgv_c.c:352:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", - | ~^ - | | - | int - | %ld - 353 | msg, me, -linfo); - | ~~~~~~ - | | - | Integer {aka long int} -pdspgv_c.c:386:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 387 | msg, me, -linfo); - | ~~ - | | - | Integer {aka long int} -pdspgv_c.c:386:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 387 | msg, me, -linfo); - | ~~~~~~ - | | - | Integer {aka long int} -pdspgv_c.c:406:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 406 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld -pdspgv_c.c:432:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 432 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %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; - | ^~~~~ Compiling pmmLSL.c... -pdsptri.c: In function 'pdsptri': -pdsptri.c:350:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 351 | msg, me, -linfo ); - | ~~ - | | - | Integer {aka long int} -pdsptri.c:350:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 351 | msg, me, -linfo ); - | ~~~~~~ - | | - | Integer {aka long int} -pdsptri.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", - | ~^ - | | - | int - | %ld - 414 | msg, me, -linfo); - | ~~ - | | - | Integer {aka long int} -pdsptri.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", - | ~^ - | | - | int - | %ld - 414 | msg, me, -linfo); - | ~~~~~~ - | | - | Integer {aka long int} -pdsptri.c:534:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld -pdsptri.c:534:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); - | ~^ ~~~~~ - | | | - | int Integer {aka long int} - | %ld -pdsptri.c:573:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); - | ~^ ~~ - | | | - | int Integer {aka long int} - | %ld -pdsptri.c:573:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); - | ~^ ~~~~~ - | | | - | int Integer {aka long int} - | %ld -Compiling pmmlsl2.c... -Compiling pmmLUL.c... -Compiling pxerbla.c... -Compiling qsort.c... -pmmLSL.c: In function 'pmmLSL': -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; - | ^~~~~~ pdspgvx.c: In function 'pdspgvx': pdspgvx.c:422:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 422 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", @@ -77319,6 +77127,10 @@ | | | | int Integer {aka long int} | %ld +pipe_fut.c: In function 'pipe_bcst_fut_col': +pipe_fut.c:85:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] + 85 | Integer *junk, *ptr, k, isize; + | ^~~~~ pdspgvx.c:710:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 710 | fprintf(stderr, " %s me = %d choleski returned info = %d \n", msg, me, *info ); | ~^ ~~ @@ -77337,12 +77149,53 @@ | | | | int Integer {aka long int} | %ld +pdsptri.c: In function 'pdsptri': +pdsptri.c:350:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 351 | msg, me, -linfo ); + | ~~ + | | + | Integer {aka long int} +pdsptri.c:350:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 350 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 351 | msg, me, -linfo ); + | ~~~~~~ + | | + | Integer {aka long int} pdspgvx.c:740:66: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] 740 | fprintf(stderr, " %s me = %d inverseL returned info = %d \n", msg, me, *info ); | ~^ ~~~~~ | | | | int Integer {aka long int} | %ld +pdsptri.c:413:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", + | ~^ + | | + | int + | %ld + 414 | msg, me, -linfo); + | ~~ + | | + | Integer {aka long int} +pdsptri.c:413:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 413 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", + | ~^ + | | + | int + | %ld + 414 | msg, me, -linfo); + | ~~~~~~ + | | + | Integer {aka long int} pdspgvx.c:828:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 828 | fprintf(stderr, " %s me = %d pdspevx returned info = %d \n", msg, me, *info ); | ~^ ~~ @@ -77355,23 +77208,119 @@ | | | | int Integer {aka long int} | %ld -pipe_fut.c: In function 'pipe_bcst_fut_col': -pipe_fut.c:85:27: warning: variable 'isize' set but not used [-Wunused-but-set-variable] - 85 | Integer *junk, *ptr, k, isize; - | ^~~~~ +pdsptri.c:534:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +pdsptri.c:534:60: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 534 | fprintf(stderr, " %s me = %d pstebz returned info = %d \n", msg, me, *info ); + | ~^ ~~~~~ + | | | + | int Integer {aka long int} + | %ld +pdsptri.c:573:36: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +pdsptri.c:573:62: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 573 | fprintf(stderr, " %s me = %d pstein returned info = %d \n", msg, me, *info ); + | ~^ ~~~~~ + | | | + | int Integer {aka long int} + | %ld +Compiling pmmLUL.c... +pdspgv_c.c: In function 'pdspgv': +pdspgv_c.c:319:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 320 | msg, me, -linfo ); + | ~~ + | | + | Integer {aka long int} +pdspgv_c.c:319:47: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 319 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 320 | msg, me, -linfo ); + | ~~~~~~ + | | + | Integer {aka long int} +pdspgv_c.c:352:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", + | ~^ + | | + | int + | %ld + 353 | msg, me, -linfo); + | ~~ + | | + | Integer {aka long int} +pdspgv_c.c:352:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 352 | fprintf( stderr, " %s me = %d argument %d has an illegal value. \n", + | ~^ + | | + | int + | %ld + 353 | msg, me, -linfo); + | ~~~~~~ + | | + | Integer {aka long int} +pdspgv_c.c:386:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 387 | msg, me, -linfo); + | ~~ + | | + | Integer {aka long int} +pdspgv_c.c:386:49: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 386 | fprintf( stderr, " %s me = %d argument %d contains a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 387 | msg, me, -linfo); + | ~~~~~~ + | | + | Integer {aka long int} +pdspgv_c.c:406:37: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 406 | fprintf( stderr, " %s me = %d mapA,B,Z differ \n", msg, me ); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %ld +pdspgv_c.c:432:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 432 | fprintf( stderr, " %s me = %d Insufficient workspace provided. \n", msg, me ); + | ~^ ~~ + | | | + | int Integer {aka long int} + | %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; + | ^~~~~ +Compiling pmmlsl2.c... +pmmLSL.c: In function 'pmmLSL': +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; + | ^~~~~~ +Compiling pxerbla.c... +Compiling qsort.c... pmmLUL.c: In function 'pmmLUL': 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; | ^~~~~~ -pmmlsl2.c: In function 'pmmlsl2': -pmmlsl2.c:91:28: warning: variable 'scratch' set but not used [-Wunused-but-set-variable] - 91 | DoublePrecision *d_ptr, *scratch, *buff, **b_ptr, **matrix2; - | ^~~~~~~ -pmmlsl2.c:90:48: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] - 90 | Integer me, isize, indx, nvecsA, nvecsB; - | ^~~~~~ Compiling resid.c... -Compiling residual.c... pxerbla.c: In function 'pxerbla2_': pxerbla.c:128:37: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 128 | fprintf(stderr, "PXERBLA: Node %d Error: Number of processors in Proc List exceeds number allocated \n", me); @@ -77379,31 +77328,36 @@ | | | | int Integer {aka long int} | %ld +pmmlsl2.c: In function 'pmmlsl2': +Compiling residual.c... +pmmlsl2.c:91:28: warning: variable 'scratch' set but not used [-Wunused-but-set-variable] + 91 | DoublePrecision *d_ptr, *scratch, *buff, **b_ptr, **matrix2; + | ^~~~~~~ +pmmlsl2.c:90:48: warning: variable 'nvecsB' set but not used [-Wunused-but-set-variable] + 90 | Integer me, isize, indx, nvecsA, nvecsB; + | ^~~~~~ Compiling sfnorm.c... Compiling shellsort.c... Compiling soluf.c... +Compiling sonenorm.c... +Compiling soort.c... +Compiling sort.c... +Compiling sorteig.c... soluf.c: In function 'upperUF_': soluf.c:91:19: warning: variable 'safeulp' set but not used [-Wunused-but-set-variable] 91 | DoublePrecision safeulp; | ^~~~~~~ -Compiling sonenorm.c... -Compiling soort.c... -Compiling sort.c... +Compiling tred22.c... sort.c: In function 'G_count': sort.c:43:18: warning: variable 'k' set but not used [-Wunused-but-set-variable] 43 | Integer i, j, *k; | ^ -Compiling sorteig.c... -Compiling tred22.c... Compiling treesort3.c... -Compiling tresid.c... sorteig.c: In function 'sorteig': 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, | ^~~~~~ -Compiling util.c... -Compiling xerbla.c... -Compiling mapchk.c... +Compiling tresid.c... tred22.c: In function 'tred2': tred22.c:328:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 328 | fprintf(stderr, "node = %d NULL vector assignment in vecA \n", me); @@ -77417,16 +77371,13 @@ | | | | int Integer {aka long int} | %ld -tresid.c: In function 'tresid': -tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] - 118 | DoublePrecision t, derror, normA, ulp, dumb; - | ^~~~ +Compiling util.c... +Compiling xerbla.c... +Compiling mapchk.c... treesort3.c: In function 'reduce_list3': treesort3.c:109:12: warning: variable 'junk' set but not used [-Wunused-but-set-variable] 109 | Integer *junk, k, num_indx; | ^~~~ -Compiling pdiff.c... -Compiling pgexit.c... xerbla.c: In function 'xerbla': xerbla.c:45:32: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 45 | fprintf(stdout, " processor %d \n", mxmynd_()); @@ -77444,6 +77395,12 @@ | ~~~~~ | | | Integer {aka long int} +tresid.c: In function 'tresid': +tresid.c:118:44: warning: variable 'dumb' set but not used [-Wunused-but-set-variable] + 118 | DoublePrecision t, derror, normA, ulp, dumb; + | ^~~~ +Compiling pdiff.c... +Compiling pgexit.c... mapchk.c: In function 'mapchk_': mapchk.c:59:3: warning: this 'for' clause does not guard... [-Wmisleading-indentation] 59 | for (indx = 0; indx < *n; indx++ ) @@ -77453,8 +77410,6 @@ | ^~~~ Compiling reducemap.c... Compiling pstebz10.c... -Compiling pstebz11.c... -Compiling inv_it4.c... pgexit.c: In function 'pgexit': pgexit.c:85:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 85 | fprintf( stderr, " %s me = %d exiting via pgexit. \n", msg, mxmynd_() ); @@ -77489,8 +77444,9 @@ | ~~~~~~~~~ | | | Integer {aka long int} +Compiling pstebz11.c... +Compiling inv_it4.c... Compiling inv_it5.c... -Compiling inv_it3.c... pstebz10.c: In function 'pstebz10_': pstebz10.c:244:20: warning: variable 'eps' set but not used [-Wunused-but-set-variable] 244 | DoublePrecision eps, tmp; @@ -77507,6 +77463,9 @@ pstebz10.c:225:5: warning: variable 'nproc' set but not used [-Wunused-but-set-variable] 225 | nproc, msize, maxinfo, *i_work, *proclist; | ^~~~~ +Compiling inv_it3.c... +Compiling peigs_tldlfact.c... +Compiling clustrf5.c... pstebz11.c: In function 'pstebz11_': pstebz11.c:246:37: warning: unused variable 'shift' [-Wunused-variable] 246 | DoublePrecision leig, reig, eps, shift, tmp1, dummy, tmp; @@ -77529,37 +77488,19 @@ pstebz11.c:221:19: warning: unused variable 'cptr' [-Wunused-variable] 221 | char msg[35], *cptr; | ^~~~ +Compiling r_ritz.c... +inv_it5.c: In function 'inv_it5': +inv_it5.c:72:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] + 72 | DoublePrecision xj, sep; + | ^~~ inv_it4.c: In function 'inv_it4': -Compiling peigs_tldlfact.c... inv_it4.c:78:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] 78 | DoublePrecision xj, sep; | ^~~ inv_it4.c:76:43: warning: variable 'indrv5' set but not used [-Wunused-but-set-variable] 76 | Integer indrv1, indrv2, indrv3, indrv4, indrv5; - | ^~~~~~ -inv_it5.c: In function 'inv_it5': -inv_it5.c:72:23: warning: variable 'sep' set but not used [-Wunused-but-set-variable] - 72 | DoublePrecision xj, sep; - | ^~~ -Compiling clustrf5.c... -Compiling r_ritz.c... -Compiling gdot.F... -pstebz11.c:496:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] - 496 | numeig = nhigh - nlow + 1; - | ~~~~~~^~~~~~ -pstebz11.c:226:6: note: 'nhigh' was declared here - 226 | nhigh, numeig, irem, isize, ival, linfo, - | ^~~~~ -pstebz11.c:496:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] - 496 | numeig = nhigh - nlow + 1; - | ~~~~~~^~~~~~ -pstebz11.c:227:14: note: 'nlow' was declared here - 227 | iii, m, nlow, me, ncol, k, nn_procs, - | ^~~~ -clustrf5.c: In function 'clustrf5_': -clustrf5.c:188:19: warning: variable 'ortol' set but not used [-Wunused-but-set-variable] - 188 | DoublePrecision ortol, xj, sepfine; - | ^~~~~ + | ^~~~~~ +Compiling gdot.F... r_ritz.c: In function 'r_ritz_': r_ritz.c:32:27: warning: variable 'dscrat' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; @@ -77567,12 +77508,10 @@ r_ritz.c:32:20: warning: variable 'dptr' set but not used [-Wunused-but-set-variable] 32 | DoublePrecision *dptr, *dscrat; | ^~~~ -clustrf5.c:451:15: warning: 'xjm' may be used uninitialized [-Wmaybe-uninitialized] - 451 | sep = xj - xjm; - | ~~~~^~~~~~~~~~ -clustrf5.c:187:19: note: 'xjm' was declared here - 187 | DoublePrecision xjm, eps1; - | ^~~ +clustrf5.c: In function 'clustrf5_': +clustrf5.c:188:19: warning: variable 'ortol' set but not used [-Wunused-but-set-variable] + 188 | DoublePrecision ortol, xj, sepfine; + | ^~~~~ pstebz10.c:512:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] 512 | numeig = nhigh - nlow + 1; | ~~~~~~^~~~~~ @@ -77585,13 +77524,31 @@ pstebz10.c:224:13: note: 'nlow' was declared here 224 | iii, m, nlow, me, nn_procs, | ^~~~ +pstebz11.c:496:21: warning: 'nhigh' may be used uninitialized [-Wmaybe-uninitialized] + 496 | numeig = nhigh - nlow + 1; + | ~~~~~~^~~~~~ +pstebz11.c:226:6: note: 'nhigh' was declared here + 226 | nhigh, numeig, irem, isize, ival, linfo, + | ^~~~~ +pstebz11.c:496:21: warning: 'nlow' may be used uninitialized [-Wmaybe-uninitialized] + 496 | numeig = nhigh - nlow + 1; + | ~~~~~~^~~~~~ +pstebz11.c:227:14: note: 'nlow' was declared here + 227 | iii, m, nlow, me, ncol, k, nn_procs, + | ^~~~ +clustrf5.c:451:15: warning: 'xjm' may be used uninitialized [-Wmaybe-uninitialized] + 451 | sep = xj - xjm; + | ~~~~^~~~~~~~~~ +clustrf5.c:187:19: note: 'xjm' was declared here + 187 | DoublePrecision xjm, eps1; + | ^~~ ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/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: creating /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpeigs.a make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/src/c' (cd ./src/f77; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/src/f77' -Compiling damax.f... Compiling inverm.F... +Compiling damax.f... Compiling dlaebz2.F... Compiling dstebz3.F... Compiling heapsort.f... @@ -77602,8 +77559,6 @@ Compiling types1.f... Compiling xerbl2.f... Compiling menode.f... -Compiling pairup.f... -Compiling xstop.f... neblw2.F:123:72: 123 | RETURN @@ -77614,16 +77569,8 @@ 35 | INTEGER FUNCTION NEBLW2(N, V, D, E, WORK, INFO ) | ^ note: '__result_neblw2' was declared here -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 pairup.f... +Compiling xstop.f... dstebz3.F:501:18: 501 | IF( GU.LT.WL ) THEN @@ -77664,15 +77611,25 @@ 194 | $ TMP1, TMP2, TNORM, ULP, WKILL, WL, WLU, WU, WUL | ^ note: 'wul' was declared here +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 make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/src/f77' (cd ./comm; make) make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/peigs/comm' -Compiling mxcombv1.F... Compiling mxbrod.F... +Compiling mxcombv1.F... Compiling mxsubs.F... Compiling sum.F... -Compiling peigs_dgop.F... Compiling maxx.F... +Compiling peigs_dgop.F... mxbrod.F:84:20: 84 | integer srcpos @@ -77706,37 +77663,8 @@ Compiling pdspevx_f.c... Compiling pdspgv_f.c... Compiling pdspgvx_f.c... -bortho_f.c: In function 'bortho_': -bortho_f.c:120:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] - 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", - | ~^ - | | - | int - | %ld - 121 | *m, *n, me); - | ~~ - | | - | Integer {aka long int} -bortho_f.c:120:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", - | ~^ - | | - | int - | %ld - 121 | *m, *n, me); - | ~~ - | | - | Integer {aka long int} -bortho_f.c:120:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", - | ~^ - | | - | int - | %ld - 121 | *m, *n, me); - | ~~ - | | - | Integer {aka long int} +Compiling resid_f.c... +Compiling residual_f.c... ortho_f.c: In function 'ortho_': ortho_f.c:115:46: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] 115 | "Error in routine ortho_. m (=%d) < n (=%d). me = %d \n", @@ -77768,31 +77696,60 @@ | ~~ | | | Integer {aka long int} -Compiling resid_f.c... -Compiling residual_f.c... -pdspev_f.c: In function 'pdspev_': -pdspev_f.c:147:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 148 | msg, me, -linfo ); - | ~~ +bortho_f.c: In function 'bortho_': +bortho_f.c:120:47: warning: format '%d' expects argument of type 'int', but argument 3 has type 'Integer' {aka 'long int'} [-Wformat=] + 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", + | ~^ + | | + | int + | %ld + 121 | *m, *n, me); + | ~~ + | | + | Integer {aka long int} +bortho_f.c:120:57: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", + | ~^ + | | + | int + | %ld + 121 | *m, *n, me); + | ~~ | | | Integer {aka long int} -pdspev_f.c:147:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 148 | msg, me, -linfo ); - | ~~~~~~ +bortho_f.c:120:67: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 120 | "Error in routine bortho_. m (=%d) < n (=%d). me = %d \n", + | ~^ + | | + | int + | %ld + 121 | *m, *n, me); + | ~~ | | | Integer {aka long int} -pdspev_f.c:159:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 159 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); +pdspgvx_f.c: In function 'pdspgvx_': +pdspgvx_f.c:179:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 180 | msg, me, -linfo ); + | ~~ + | | + | Integer {aka long int} +pdspgvx_f.c:179:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 180 | msg, me, -linfo ); + | ~~~~~~ + | | + | Integer {aka long int} +pdspgvx_f.c:192:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 192 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} @@ -77824,34 +77781,33 @@ | | | | int Integer {aka long int} | %ld -pdspgvx_f.c: In function 'pdspgvx_': -pdspgvx_f.c:179:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 180 | msg, me, -linfo ); - | ~~ - | | - | Integer {aka long int} -pdspgvx_f.c:179:46: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] - 179 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", - | ~^ - | | - | int - | %ld - 180 | msg, me, -linfo ); - | ~~~~~~ - | | - | Integer {aka long int} -pdspgvx_f.c:192:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] - 192 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); +pdspev_f.c: In function 'pdspev_': +pdspev_f.c:147:33: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 148 | msg, me, -linfo ); + | ~~ + | | + | Integer {aka long int} +pdspev_f.c:147:45: warning: format '%d' expects argument of type 'int', but argument 5 has type 'Integer' {aka 'long int'} [-Wformat=] + 147 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", + | ~^ + | | + | int + | %ld + 148 | msg, me, -linfo ); + | ~~~~~~ + | | + | Integer {aka long int} +pdspev_f.c:159:35: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] + 159 | fprintf( stderr, " %s me = %d ibuffsz is too small. \n", msg, me ); | ~^ ~~ | | | | int Integer {aka long int} | %ld -Compiling sonenorm_f.c... pdspgv_f.c: In function 'pdspgv_': pdspgv_f.c:159:34: warning: format '%d' expects argument of type 'int', but argument 4 has type 'Integer' {aka 'long int'} [-Wformat=] 159 | fprintf( stderr, " %s me = %d argument %d is a pointer to NULL. \n", @@ -77879,6 +77835,7 @@ | | | | int Integer {aka long int} | %ld +Compiling sonenorm_f.c... Compiling tresid_f.c... Compiling choleski_f.c... Compiling inverse_f.c... @@ -77908,8 +77865,8 @@ make[3]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/perfm' Making libraries in bq make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/bq' -Compiling bq_data.F... Compiling bq_input.F... +Compiling bq_data.F... Compiling bq_rtdb.F... Compiling bq_main.F... Compiling bq_force.F... @@ -77941,9 +77898,9 @@ Making libraries in cons make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' Compiling cons_input.F... -Compiling cons_springs.F... Compiling cons.F... Compiling cons_utils.F... +Compiling cons_springs.F... Compiling cons_rtdb.F... Compiling cons_data.F... cons_rtdb.F:1041:21: @@ -77962,14 +77919,6 @@ 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)). -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)). cons.F:564:20: 564 | > mt_int,1,nfa) @@ -77978,6 +77927,14 @@ 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)). +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)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/cons' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcons.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libcons.a cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o @@ -78027,7 +77984,6 @@ Compiling exactd_mem.F... Compiling int_1cg.F... Compiling int_1e3ov.F... -Compiling int_1estv.F... cando_sp.F:294:0: 294 | #define USE_TEXAS @@ -78035,6 +77991,7 @@ :11:0: note: this is the location of the previous definition +Compiling int_1estv.F... Compiling int_2e2c.F... Compiling int_2e3c.F... int_2e2c.F:58:0: @@ -78046,15 +78003,14 @@ note: this is the location of the previous definition Compiling int_acc.F... Compiling int_canon.F... -Compiling int_chk_init.F... Compiling int_chk_sh.F... +Compiling int_chk_init.F... Compiling int_func_c.F... Compiling int_init.F... Compiling int_l1e3ov.F... Compiling int_l1eall.F... Compiling int_l1eh1.F... Compiling int_l1eke.F... -Compiling int_l1eov.F... int_init.F:82:47: 82 | if (rtdb_get(rtdb,'int:acc_std',mt_dbl,1,val_int_acc_std)) then @@ -78063,9 +78019,7 @@ 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_l1epe.F... -Compiling int_l2e2c.F... -Compiling int_l2e3c.F... +Compiling int_l1eov.F... exact_mem.F:71:54: 62 | if (.not.(rtdb_get(rtdb,'int:full_mem',Mt_Log,1,o_do_full))) @@ -78074,6 +78028,9 @@ 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 int_l1epe.F... +Compiling int_l2e2c.F... +Compiling int_l2e3c.F... Compiling int_lgen1e.F... Compiling int_mem.F... Compiling int_mpolel.F... @@ -78082,20 +78039,6 @@ Compiling int_pgen1e.F... Compiling int_projpole.F... Compiling int_term.F... -Compiling intd_1eh1.F... -int_projpole.F:168:72: - - 168 | if (Li.eq.-1) i_gen = i_gen_save - | ^ -Warning: 'i_gen_save' may be used uninitialized [-Wmaybe-uninitialized] -int_projpole.F:88:24: - - 88 | integer i_gen_save - | ^ -note: 'i_gen_save' was declared here -Compiling intd_1eov.F... -Compiling intd_1eke.F... -Compiling int_1er.F... int_mpole.F:315:72: 315 | if (Li.eq.-1) i_gen = i_gen_save @@ -78116,6 +78059,20 @@ 103 | integer i_gen_save, j_gen_save | ^ note: 'j_gen_save' was declared here +Compiling intd_1eh1.F... +Compiling intd_1eov.F... +int_projpole.F:168:72: + + 168 | if (Li.eq.-1) i_gen = i_gen_save + | ^ +Warning: 'i_gen_save' may be used uninitialized [-Wmaybe-uninitialized] +int_projpole.F:88:24: + + 88 | integer i_gen_save + | ^ +note: 'i_gen_save' was declared here +Compiling intd_1eke.F... +Compiling int_1er.F... Compiling intd_2e2c.F... Compiling intd_2e3c.F... Compiling intd_2e4c.F... @@ -78123,6 +78080,15 @@ Compiling intd_1e3ov.F... Compiling intbd_init4c.F... Compiling intbd_2e4c.F... +Compiling intbdd_init4c.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)). intd_2e4c.F:258:33: 258 | call ycopy((nint_ck*3*4),0.0d00,0,eri,1) @@ -78147,17 +78113,6 @@ 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 intbdd_init4c.F... -Compiling intbdd_2e4c.F... -Compiling intd_mpolel.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) intbd_2e4c.F:283:29: 227 | call ycopy (numint,eri,1,scr,1) @@ -78174,21 +78129,24 @@ 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 intdd_1eh1.F... -intd_init.F:368:50: +Compiling intbdd_2e4c.F... +Compiling intd_mpolel.F... +intbdd_2e4c.F:236:25: - 198 | if (rtdb_get(rtdb,'intd:cando_txs',MT_LOG,1,status)) - | 2 + 236 | call ycopy (numint,eri,1,scr,1) + | 1 ...... - 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)). + 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 intdd_1eh1.F... Compiling intdd_1eov.F... Compiling intdd_2e2c.F... Compiling intdd_2e4c.F... Compiling intdd_2e3c.F... Compiling intdd_init.F... Compiling intp_1eke.F... +Compiling intp_1eov.F... intdd_init.F:228:51: 96 | if (rtdb_get(rtdb,'intdd:cando_txs',MT_LOG,1,status)) @@ -78197,7 +78155,6 @@ 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_1eov.F... Compiling intp_1epe.F... Compiling intp_2e2c.F... Compiling intp_2e3c.F... @@ -78206,6 +78163,9 @@ Compiling intp_2e3ct.F... Compiling intp_mpolel.F... Compiling intp_txyz.F... +Compiling intpd_1e1cpe.F... +Compiling intpd_1eke.F... +Compiling intpd_1eov.F... intp_mpole.F:203:72: 203 | if (Li.eq.-1) i_gen = i_gen_save @@ -78226,7 +78186,8 @@ 83 | integer i_gen_save, j_gen_save | ^ note: 'j_gen_save' was declared here -Compiling intpd_1e1cpe.F... +Compiling intpd_1epe.F... +Compiling intpd_2e2c.F... intp_mpolel.F:202:10: 202 | if ((num_int+l_int*ij_int_x).gt.lmpint) then @@ -78237,10 +78198,6 @@ 121 | integer l_int, ij_int, ij_int_x, num_int | ^ note: 'num_int' declared here -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... @@ -78263,8 +78220,8 @@ Compiling int_ops.F... Compiling intd_1epot.F... Compiling intd_1epot_cosmo.F... -Compiling int_angmom.F... Compiling int_veloc.F... +Compiling int_angmom.F... Compiling int_giaos100.F... Compiling cosmo_screen.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/api' @@ -78304,6 +78261,7 @@ Compiling hf3OIs.f... Compiling hfabc.f... Compiling hfctr3.f... +Compiling hferi.F... hf1.F:190:72: 190 | i_ptr = i_Ep + 3*NPP*(MXD+1)*lprod @@ -78314,7 +78272,6 @@ 31 | integer MXD,NCP,NPP,La2,Lb2,Li,Lp,Lp3,MaxMem,nintlocal,lprod,nd | ^ note: 'npp' declared here -Compiling hferi.F... Compiling hferi_gen.F... Compiling hfkei.f... Compiling hfmke.F... @@ -78340,8 +78297,8 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/auxil' Compiling do_chk_sum.F... Compiling intb_chk_sum.F... -Compiling xlm_norm.F... Compiling xlmcoeff.F... +Compiling xlm_norm.F... Compiling int_spcart2.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/auxil' intb_chk_sum.F:129:21: @@ -78557,377 +78514,12 @@ Compiling getmem.F... Compiling amshift.F... Compiling assemblx.F... -Compiling spec_block.F... -Compiling cshneg.f... -Compiling d_datlog.F... -Compiling spec_calcint.F... -Compiling spec_destiny.F... -Compiling memoha.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 -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) 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) +Compiling spec_block.F... texas_hf.F:436:72: 436 | * icspnl,jcspnl,kcspnl,lcspnl) @@ -79173,26 +78765,114 @@ 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) -assemblx.F:1438:72: +Compiling cshneg.f... +Compiling d_datlog.F... +big_service.F:805:72: - 1438 | * bl(indx), ijenx,klenx) + 805 | s=zero + | ^ +Warning: 'zero' is used uninitialized [-Wuninitialized] +big_service.F:805:12: + + 805 | s=zero + | ^ +note: 'zero' was declared here +texas_face.F:1064:72: + + 1064 | * iprint,ncs,inx(inxx),ntxs_scr_size) | 1 -Warning: Type mismatch in argument 'indx' at (1); passed REAL(8) to INTEGER(8) +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) +Compiling spec_calcint.F... +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) +Compiling spec_destiny.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) -assemblx.F:1456:72: - - 1456 | * bl(indx), ijenx,klenx) - | 1 -Warning: Type mismatch in argument 'indx' 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) +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 memoha.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) @@ -79208,11 +78888,6 @@ 1506 | * bl(indx),ij3b,kl3b) | 1 Warning: Type mismatch in argument 'indx' 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) assemblx.F:1519:72: 1519 | * bl(indx), ij3b,kl3b) @@ -79223,11 +78898,6 @@ 1531 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' 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) assemblx.F:1543:72: 1543 | * bl(indx)) @@ -79238,11 +78908,6 @@ 1555 | * bl(indx)) | 1 Warning: Type mismatch in argument 'indx' 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) assemblx.F:1567:72: 1567 | * bl(indx)) @@ -79253,11 +78918,6 @@ 1582 | * lck,lcij,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' 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) assemblx.F:1593:72: 1593 | * lcl,lcij,bl(indx)) @@ -79268,11 +78928,6 @@ 1604 | * lci,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' 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) assemblx.F:1615:72: 1615 | * lcj,lckl,bl(indx)) @@ -79283,16 +78938,6 @@ 1626 | * lcij,lckl,bl(indx)) | 1 Warning: Type mismatch in argument 'indx' 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) assemblx.F:680:72: 680 | * bl(idx1),bl(indx), ijenx,klenx) @@ -79528,11 +79173,26 @@ 84 | * bl(nblock1),nbl1,nbl2,nbl4) | 1 Warning: Type mismatch in argument 'nblock1' at (1); passed REAL(8) to INTEGER(8) +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_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_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_block.F:94:72: 94 | call make_nblock1_back(ncs,nbl1,bl(nblock1),bl(nblock1_back)) @@ -79548,6 +79208,11 @@ 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_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_block.F:122:72: 122 | * bl(mxsize),bl(mxpair)) @@ -79558,26 +79223,91 @@ 122 | * bl(mxsize),bl(mxpair)) | 1 Warning: Type mismatch in argument 'npar' 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_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_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_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_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_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_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_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_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_block.F:1632:72: 1632 | * bl(nklbd),bl(nkled)) @@ -79613,46 +79343,274 @@ 1632 | * bl(nklbd),bl(nkled)) | 1 Warning: Type mismatch in argument 'nkle' at (1); passed REAL(8) to INTEGER(8) -Compiling precalc2.F... -texas_face.F:1064:72: +spec_calcint.F:180:72: - 1064 | * iprint,ncs,inx(inxx),ntxs_scr_size) + 180 | * ibl,bl(ijblock),igo_back ) | 1 -Warning: Type mismatch in argument 'ishell_blk' at (1); passed REAL(8) to INTEGER(8) -texas_face.F:1463:48: +Warning: Type mismatch in argument 'isbl_split' at (1); passed REAL(8) to INTEGER(8) +spec_calcint.F:180:72: - 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: + 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: - 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: + 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: - 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: + 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: - 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: + 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: - 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: + 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: - 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) + 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 precalc2.F... Compiling prepint.F... +Compiling lab_reorder.F... precalc2.F:34:72: 34 | * nij_uniqe,bl(ij_uniqe_p) ) @@ -79733,51 +79691,10 @@ 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) -Compiling lab_reorder.F... Compiling rt123.F... Compiling shells.F... Compiling time.f... Compiling zeroint.F... -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 Compiling missing.f... zeroint.F:41:72: @@ -79911,7 +79828,6 @@ Compiling transfor.F... Compiling gencon.f... Compiling derivat.F... -Compiling convert.f... gencon.f:352:72: 352 | * bl(indx),nbls1, ngcd,bl(igcoet) ) @@ -79927,7 +79843,50 @@ 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 convert.f... +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 Compiling test_calc2.f... +Compiling screened_op.F... +Compiling trobsa.F... spec_destiny.F:341:72: 341 | icfx(integ_n0)=iix(1) @@ -79968,38 +79927,6 @@ 259 | dimension iix(4) | ^ note: 'MEM[(integer(kind=8)[4] *)&iix][3]' was declared here -Compiling screened_op.F... -precalc2.F:579:72: - - 579 | fctpp= abs( est_ip*est_jp ) - | ^ -Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] -precalc2.F:488:24: - - 488 | est_ip=1.d0 - | ^ -note: 'est_ip' was declared here -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 trobsa.F... trobsa.F:292:72: 292 | call find_unstable(stable,nbls1, bl(iq_u),nbls1_u) @@ -80030,6 +79957,36 @@ 382 | * bl(iwt0),bl(iwt0_u),lnij,lnkl) | 1 Warning: Type mismatch in argument 'iq_u' at (1); passed REAL(8) to INTEGER(8) +precalc2.F:579:72: + + 579 | fctpp= abs( est_ip*est_jp ) + | ^ +Warning: 'est_ip' may be used uninitialized [-Wmaybe-uninitialized] +precalc2.F:488:24: + + 488 | est_ip=1.d0 + | ^ +note: 'est_ip' was declared here +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 spec_destiny.F:1115:72: 1115 | icfx(integ_n0)=iix(1) @@ -80195,6 +80152,14 @@ Compiling ecp_cart_xpd.F... Compiling ecp_contract.f... Compiling ecp_cstrans.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) ecp_c2snorm.F:42:72: 42 | wa = wa/sqrt(wb*wc) @@ -80205,14 +80170,6 @@ 20 | double precision wa,wb,wc,zero,half | ^ note: 'wa' was declared here -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_down_m.f... Compiling ecp_gaussq.f... Compiling ecp_init_c2s.F... @@ -80339,6 +80296,8 @@ Compiling hnd_giao_2emem.F... Compiling hnd_giagnm.F... Compiling hnd_giaspd.F... +Compiling hnd_jkbcdf.F... +Compiling hnd_oechrg.F... hnd_giagnm.F:56:13: 54 | do 70 m=2,max @@ -80347,6 +80306,7 @@ 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) +Compiling hnd_xyzgia.F... hnd_giagnm.F:64:13: 62 | do 80 n=2,nmax-1 @@ -80435,9 +80395,6 @@ 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_jkbcdf.F... -Compiling hnd_oechrg.F... -Compiling hnd_xyzgia.F... Compiling hnd_giahnd.F... Compiling hnd_giaxyz.F... Compiling hnd_jkwrys.F... @@ -80472,8 +80429,6 @@ Compiling modelpotential_input.F... Compiling set_modelpotential_params.F... Compiling get_modelpotential_params.F... -Compiling calc_modelpotential.F... -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/rel' rel_input.F:80:64: 48 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) @@ -80482,13 +80437,9 @@ 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 calc_modelpotential.F... +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/rel' Compiling rel_onel.F... -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... rel_onel.F:9:19: 9 | c:tex- \nonumber \\ @@ -80497,6 +80448,12 @@ 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... @@ -80546,7 +80503,6 @@ Compiling dkdiv_energy.F... Compiling int_pxvp_ga.F... Compiling int_1edkso_ga.F... -Compiling bas_create_uncont.F... dk_input.F:110:61: 108 | if (.not. rtdb_put(rtdb, 'doug_kroll', mt_log, 1, dk_run)) @@ -80555,14 +80511,15 @@ 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)). -int_1edkso_ga.F:182:13: +Compiling bas_create_uncont.F... +int_1edk_ga.F:194:13: - 182 | info = ga_cholesky('L',tempg_a,-1) + 194 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) -int_1edk_ga.F:194:13: +int_1edkso_ga.F:182:13: - 194 | info = ga_cholesky('L',tempg_a,-1) + 182 | info = ga_cholesky('L',tempg_a,-1) | 1 Warning: More actual than formal arguments in procedure call at (1) make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/NWints/dk' @@ -80590,11 +80547,6 @@ Compiling outpud.F... Compiling teigd.F... Compiling atomd.F... -Compiling denmad.F... -Compiling jacod.F... -Compiling pdfded.F... -Compiling tracd.F... -Compiling cmergd.F... denat.F:132:56: 121 | if (.not. rtdb_get(rtdb, 'atomscf:special', mt_log, 1, spec)) @@ -80603,14 +80555,17 @@ 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 denmad.F... +Compiling jacod.F... +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... jacod.F:141:72: 141 | f(iebr) = tt*sx - f(iebr)*cx @@ -80621,6 +80576,8 @@ 20 | real *8 sd, t, dif, t2x2, t2x25, cx, sx, tt | ^ note: 'tt' was declared here +Compiling square.F... +Compiling tramad.F... Compiling datoms.F... Compiling guess_mem.F... Compiling starcd.F... @@ -80650,7 +80607,6 @@ Compiling scf_input.F... Compiling schwarz_init.F... Compiling vectors_inp.F... -Compiling int_1e_ga.F... scf_lindep.F:69:51: 59 | if (rtdb_get(rtdb, 'lindep:n_dep', mt_int, 1, n_dep)) then @@ -80659,6 +80615,8 @@ 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 int_1e_ga.F... +Compiling schwarz_pr.F... scf_input.F:52:60: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) @@ -80667,6 +80625,7 @@ 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)). +Compiling ga_orth_mos.F... scf_input.F:79:64: 43 | if (.not. rtdb_put(rtdb, 'scf:thresh', mt_dbl, 1, conv)) @@ -80675,7 +80634,6 @@ 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_pr.F... vectors_inp.F:234:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) @@ -80684,6 +80642,7 @@ 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) +Compiling schwarz_tidy.F... vectors_inp.F:248:51: 126 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) @@ -80692,7 +80651,7 @@ 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 ga_orth_mos.F... +Compiling int2e_balance.F... scf.F:193:9: 191 | & cam_exch)) cam_exch=.false. @@ -80709,8 +80668,6 @@ 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 schwarz_tidy.F... -Compiling int2e_balance.F... Compiling vectors.F... Compiling scf_sym_scr.F... Compiling ga_cont_blk.F... @@ -80719,8 +80676,6 @@ Compiling scf_pstat.F... Compiling schwarz_max.F... Compiling movecs_proj.F... -Compiling movecs_rotate.F... -Compiling movecs_molden.F... int_1e_ga.F:706:72: 706 | ocache=ocache_save @@ -80731,23 +80686,7 @@ 625 | logical ocache_save | ^ note: 'ocache_save' was declared here -Compiling ao_fock_2e.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 movecs_rotate.F... int_1e_ga.F:423:72: 423 | ocache=ocache_save @@ -80758,6 +80697,7 @@ 208 | logical ocache_save | ^ note: 'ocache_save' was declared here +Compiling movecs_molden.F... movecs_proj.F:181:32: 172 | call int_init(rtdb,2,basis_handles) @@ -80766,7 +80706,24 @@ 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 ao_fock_2e.F... Compiling movecs_lock.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 fock_2e.F... Compiling fock_2e_et.F... Compiling fock_2e_a.F... @@ -80779,6 +80736,7 @@ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling print_aoints.F... +Compiling fock_2e_b.F... fock_2e.F:111:49: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), @@ -80787,6 +80745,7 @@ 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) +Compiling fock_upd_blk.F... fock_2e.F:111:55: 94 | call ao_fock_2e( geom1, ao_basis, 1, 0d0, -0.5d0*bgj_kfac(), @@ -80827,12 +80786,11 @@ 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_b.F... -Compiling fock_upd_blk.F... Compiling fock_2e_cdf.F... Compiling fock_get_blk.F... Compiling scf_vec_guess.F... Compiling rohf.F... +Compiling rohf_nr_sol.F... scf_vec_guess.F:113:53: 92 | if(.not.rtdb_get(rtdb,'tolguess',mt_dbl,1,tolguess)) then @@ -80929,75 +80887,10 @@ 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_nr_sol.F... Compiling rohf_wrap.F... Compiling rohf_canon.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 rohf_k2cf.F... Compiling rohf_precon.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_shift.F... Compiling rohf_step.F... rohf_canon.F:90:17: @@ -81048,7 +80941,17 @@ 102 | $ zero, crohf_g_fpv) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) +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_rotate.F... +Compiling scf_get_info.F... +Compiling rohf_hscale.F... rohf_wrap.F:209:58: 191 | if (.not. rtdb_get(rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) @@ -81057,15 +80960,85 @@ 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 scf_get_info.F... -Compiling rohf_hscale.F... Compiling fock_2e_file.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 rohf_hxx.F... Compiling rohf_fock.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_fock2g.F... Compiling scf_movecs.F... Compiling rohf_h1e.F... Compiling rohf_h2e.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_hessv2.F... Compiling rohf_dens.F... rohf_fock.F:255:25: @@ -81100,30 +81073,18 @@ 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) -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 movecs_phase.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 riscf_fock.F... Compiling riscf_init.F... Compiling riscf_list.F... Compiling riscf_tidy.F... Compiling riscf_trans.F... +riscf_list.F:101:40: + + 101 | logical function riscf_del_3c_ints (handle) + | ^ +Warning: '__result_riscf_del_3c_ints' may be used uninitialized [-Wmaybe-uninitialized] Compiling do_riscf.F... -Compiling riscf_dovecs.F... rohf_hessv2.F:293:14: 289 | $ g_tmp1, 1, nvir, 1, nclosed, @@ -81236,7 +81197,9 @@ 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 riscf_dovecs.F... Compiling rohf_scat.F... +Compiling uhf.F... riscf_trans.F:96:61: 64 | call ga_get (g_indx, i, i, j, j, indx, 1) @@ -81245,12 +81208,6 @@ 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 uhf.F... -riscf_list.F:101:40: - - 101 | logical function riscf_del_3c_ints (handle) - | ^ -Warning: '__result_riscf_del_3c_ints' may be used uninitialized [-Wmaybe-uninitialized] Compiling uhf_hessv.F... Compiling fock_2e_rep.F... Compiling uhf_hessv2.F... @@ -81298,8 +81255,6 @@ Compiling print_1eints.F... Compiling riscf_square.F... Compiling riscf_io.F... -Compiling movecs_pr_anal.F... -Compiling rohf_lagr.F... riscf_square.F:75:57: 50 | call ga_get (g_indx, 1, ish, ish, ish, indx, ish) @@ -81308,60 +81263,14 @@ 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 movecs_pr_anal.F... +Compiling rohf_lagr.F... Compiling rohf_diis.F... 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) -vectors.F:997:72: - - 997 | end - | ^ -Warning: '__result_movecs_converged' may be used uninitialized [-Wmaybe-uninitialized] -vectors.F:873:39: - - 873 | logical function movecs_converged(rtdb, basis, scftype, filename) - | ^ -note: '__result_movecs_converged' was declared here -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 localize.F... -Compiling int_dip_ga.F... -Compiling fock_xc.F... -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... uhf.F:2010:31: 429 | call movecs_fix_phase(g_movecs) @@ -81418,7 +81327,6 @@ 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) -Compiling uhf_jkfac.F... uhf.F:1218:23: 397 | call ga_print(g_movecs) @@ -81451,7 +81359,44 @@ 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 rohf_hessv3.F... +Compiling int_dip_ga.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) +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) +Compiling fock_xc.F... +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 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... fock_xc.F:117:54: 103 | & calc_type)) then @@ -81502,12 +81447,71 @@ 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 uhf_jkfac.F... +Compiling rohf_hessv3.F... +vectors.F:997:72: + + 997 | end + | ^ +Warning: '__result_movecs_converged' may be used uninitialized [-Wmaybe-uninitialized] +vectors.F:873:39: + + 873 | logical function movecs_converged(rtdb, basis, scftype, filename) + | ^ +note: '__result_movecs_converged' was declared here Compiling fock_2e_cam.F... Compiling ga_get2eri.F... Compiling scf_frozemb.F... Compiling print_integrals.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 rohf_hessv2_ext.F... -Compiling rohf_hessv3_ext.F... localize.F:78:24: 78 | call ga_get(g_movecs,1,nbf,i,i,dbl_mb(k_c), 1) @@ -81586,54 +81590,6 @@ 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) -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) rohf_hessv3.F:862:54: 595 | call nga_copy_patch('N',g_dcv,blo,bhi,g_dens,alo,ahi) @@ -81682,6 +81638,7 @@ 890 | & g_dpv,blo,bhi) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) +Compiling rohf_hessv3_ext.F... rohf_hessv3.F:69:17: 69 | $ pflg, g_movecs, oskel, noskew, @@ -81690,7 +81647,6 @@ Compiling uhf_hessv2_ext.F... Compiling uhf_precond_ext.F... Compiling scf_dump_evp_input.F... -Compiling cosmo_fock.F... rohf_hessv2_ext.F:102:72: 102 | chunk(1) = dims(1) @@ -81701,6 +81657,10 @@ 53 | integer dims(3),chunk(3), | ^ note: 'dims' declared here +Compiling cosmo_fock.F... +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf' +Making all in fast +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf/fast' scf_dump_evp_input.F:74:72: 74 | & action="write",status="replace") @@ -81711,7 +81671,6 @@ 18 | integer :: funit | ^ note: 'funit' declared here -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf' rohf_hessv3_ext.F:88:11: 88 | & g_movecs, @@ -81722,8 +81681,6 @@ 429 | & g_movecs, ! in : MO coefficients | 1 Warning: Rank mismatch in argument 'g_movecs' at (1) (scalar and rank-1) -Making all in fast -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf/fast' uhf_hessv2_ext.F:4115:72: 4115 | & GA_ERR) @@ -81754,6 +81711,16 @@ 2418 | & dims(3),chunk(3) | ^ note: 'dims' declared here +uhf_hessv2_ext.F:343:72: + + 343 | chunk(1) = dims(1) + | ^ +Warning: 'dims' is used uninitialized [-Wuninitialized] +uhf_hessv2_ext.F:303:21: + + 303 | & dims(3),chunk(3) + | ^ +note: 'dims' declared here Compiling fock_2e_task.F... Compiling fock_2e_slab.F... Compiling fock_2e_lab.F... @@ -81786,17 +81753,6 @@ 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) -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf/fast' -uhf_hessv2_ext.F:343:72: - - 343 | chunk(1) = dims(1) - | ^ -Warning: 'dims' is used uninitialized [-Wuninitialized] -uhf_hessv2_ext.F:303:21: - - 303 | & dims(3),chunk(3) - | ^ -note: 'dims' declared here ao_replicated.F:988:72: 988 | do i = ilo, ihi @@ -81817,10 +81773,12 @@ 916 | integer ilo, ihi, inprim, ingen, itype | ^ note: 'ihi' declared here +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf/fast' +make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf' Compiling xlm_poles.F... Compiling cheby.F... -Compiling anlfit.F... Compiling fastj.F... +Compiling anlfit.F... Compiling cart_trans.F... Compiling gauleg.f... Compiling solver.F... @@ -81828,6 +81786,7 @@ Compiling pot_shell.F... Compiling fastj_direct.F... Compiling fastj_range.f... +Compiling newfmm.F... solver.F:1030:15: 1029 | do j = 0,lmax @@ -81858,7 +81817,17 @@ 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) -Compiling newfmm.F... +Compiling potential.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 fastj.F:170:11: 158 | if (.not. rtdb_get(rtdb, 'fastj:depth', mt_int, 1, depth)) @@ -81875,17 +81844,7 @@ 1994 | $ 2d0*log(double_factorial(n))+ | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). -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 potential.F... +Compiling sint.F... anlfit.F:615:72: 615 | D(1)=PTWO @@ -81896,7 +81855,6 @@ 598 | DOUBLE PRECISION C(*),D(*),PONE,PTWO,X(*),XX,WORK(*) | ^ note: 'ptwo' was declared here -Compiling sint.F... newfmm.F:1152:26: 999 | call ifill(ncells,.false.,log_mb(k_probe),1) @@ -81923,7 +81881,6 @@ 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) -make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/ddscf' anlfit.F:615:72: 615 | D(1)=PTWO @@ -81944,6 +81901,36 @@ 1256 | double precision x, y, z, potfmm, potgrid, fact | ^ note: 'potgrid' was declared here +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 pot_shell.F:203:72: 203 | time_init = time_init + util_cpusec()-start @@ -82014,36 +82001,6 @@ 507 | double precision hfmm, dist, x, y, z, totalq, rootpi, radial, | ^ note: 'z' was declared here -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 solver.F:99:72: 99 | $ write(6,15) etime(tt) - start @@ -82096,8 +82053,8 @@ 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 grad_getdens.F... Compiling grad2.F... +Compiling grad_getdens.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gradients' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gradients' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libgradients.lock @@ -82114,20 +82071,17 @@ Compiling mointdriver.F... Compiling moints_1e.F... Compiling moints_dbg.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 moints_gsh1.F... Compiling moints_mem.F... Compiling moints_mp2.F... -Compiling moints_stats.F... -Compiling moints_full.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 sifs0.F... mointdriver.F:96:28: 90 | if (.not. rtdb_get(rtdb, 'mp2:aotol2e', mt_dbl, 1, tol2e)) @@ -82136,15 +82090,18 @@ 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_stats.F... +Compiling moints_full.F... +Compiling sifs0.F... Compiling sifs1.F... -direct_mp2.F:118:58: +moints_mp2.F:167:54: - 59 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) - | 2 + 163 | if (.not. rtdb_get(rtdb, 'mp2:fss', mt_dbl, 1, fss)) + | 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)). + 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)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/moints' moints_stats.F:54:39: @@ -82178,14 +82135,6 @@ 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) -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) moints_full.F:886:42: 626 | call ga_get(g_coul, 1, nact2, ij, ij, g, 1) @@ -82215,6 +82164,14 @@ 374 | $ nsym, sym_lo, sym_hi) | 1 Warning: Type mismatch in argument 'work' at (1); passed REAL(8) to INTEGER(8) +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) sifs0.F:236:72: 236 | nbig = ( ( nbig + 2*chunk ) / chunk ) * chunk @@ -82413,22 +82370,6 @@ 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)). -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)). conv_inp.F:191:55: 77 | if (.not. rtdb_put(rtdb, 'dft:e_conv', mt_dbl, 1, e_conv)) @@ -82453,6 +82394,22 @@ 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) +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)). grid_inp.F:144:60: 81 | if (.not. rtdb_put(rtdb, 'dft:delley', mt_log, 1, ldelley)) @@ -82517,22 +82474,6 @@ 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) -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)). dft_rdinput.F:99:52: 73 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) @@ -82549,14 +82490,6 @@ 209 | & mt_int, 1, iterations)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). -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)). dft_inpana.F:1093:28: 1075 | if (.not. rtdb_put(rtdb, 'dft:ipol', mt_int, 1, ipol)) @@ -82573,6 +82506,30 @@ 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)). +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)). +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)). make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/input_dft' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/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 @@ -82592,10 +82549,26 @@ Compiling dft_symbr.F... Compiling dft_pstat.F... Compiling fukui.F... -Compiling dft_diagn.F... Compiling dft_canorg.F... +Compiling dft_diagn.F... Compiling dft_dump_info.F... Compiling dft_fant.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)). dft_fockbld.F:125:42: 120 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) @@ -82644,7 +82617,6 @@ 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_printinfo.F... dft_scfutil.F:109:72: 109 | & 1, 1, nbf_ao, 1, 1) @@ -82658,82 +82630,7 @@ 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)). -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)). -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_fock_efield.F... -dft_fockbld.F:207:72: - - 207 | & time2_ke-time1_ke - | ^ -Warning: 'time1_ke' may be used uninitialized [-Wmaybe-uninitialized] -dft_fockbld.F:81:31: - - 81 | double precision time1_ke,time2_ke - | ^ -note: 'time1_ke' was declared here -dft_fockbld.F:207:72: - - 207 | & time2_ke-time1_ke - | ^ -Warning: 'time2_ke' may be used uninitialized [-Wmaybe-uninitialized] -dft_fockbld.F:81:40: - - 81 | double precision time1_ke,time2_ke - | ^ -note: 'time2_ke' was declared here -dft_fockbld.F:282:72: - - 282 | & time2_pot-time1_pot - | ^ -Warning: 'time1_pot' may be used uninitialized [-Wmaybe-uninitialized] -dft_fockbld.F:82:32: - - 82 | double precision time1_pot,time2_pot - | ^ -note: 'time1_pot' was declared here -dft_fockbld.F:282:72: - - 282 | & time2_pot-time1_pot - | ^ -Warning: 'time2_pot' may be used uninitialized [-Wmaybe-uninitialized] -dft_fockbld.F:82:42: - - 82 | double precision time1_pot,time2_pot - | ^ -note: 'time2_pot' was declared here -Compiling dft_frac_mo.F... -dft_diagn.F:172:72: - - 172 | write(*,"(4x,'Diagonalization Time:',F13.1,'s')") time2-time1 - | ^ -Warning: 'time1' may be used uninitialized [-Wmaybe-uninitialized] -dft_diagn.F:53:28: - - 53 | double precision time1,time2 - | ^ -note: 'time1' was declared here +Compiling dft_printinfo.F... dft_scf.F:276:43: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) @@ -82766,7 +82663,6 @@ 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) -Compiling dft_nwmolden.F... dft_scf.F:741:61: 362 | if (.not. rtdb_put(rtdb, 'bgj:scf_type', MT_INT, 1, 2)) @@ -82775,6 +82671,7 @@ 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)). +Compiling dft_fock_efield.F... dft_scf.F:1099:62: 266 | $ (rtdb,'cosmo:do_cosmo_vem',mt_int,1,do_cosmo_vem)) @@ -82839,22 +82736,62 @@ 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 dft_frac_mo.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_spinflip.F... -dft_canorg.F:468:72: +dft_fockbld.F:207:72: - 468 | dft_nonzvecs=max(noc,dft_nonzvecs) + 207 | & time2_ke-time1_ke | ^ -Warning: '__result_dft_nonzvecs' may be used uninitialized [-Wmaybe-uninitialized] -dft_canorg.F:412:35: +Warning: 'time1_ke' may be used uninitialized [-Wmaybe-uninitialized] +dft_fockbld.F:81:31: - 412 | integer function dft_nonzvecs(g_vecs,nbf,noc) - | ^ -note: '__result_dft_nonzvecs' was declared here + 81 | double precision time1_ke,time2_ke + | ^ +note: 'time1_ke' was declared here +dft_fockbld.F:207:72: + + 207 | & time2_ke-time1_ke + | ^ +Warning: 'time2_ke' may be used uninitialized [-Wmaybe-uninitialized] +dft_fockbld.F:81:40: + + 81 | double precision time1_ke,time2_ke + | ^ +note: 'time2_ke' was declared here +dft_fockbld.F:282:72: + + 282 | & time2_pot-time1_pot + | ^ +Warning: 'time1_pot' may be used uninitialized [-Wmaybe-uninitialized] +dft_fockbld.F:82:32: + + 82 | double precision time1_pot,time2_pot + | ^ +note: 'time1_pot' was declared here +dft_fockbld.F:282:72: + + 282 | & time2_pot-time1_pot + | ^ +Warning: 'time2_pot' may be used uninitialized [-Wmaybe-uninitialized] +dft_fockbld.F:82:42: + + 82 | double precision time1_pot,time2_pot + | ^ +note: 'time2_pot' was declared here +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_nwmolden.F... +Compiling dft_spinflip.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) @@ -82863,8 +82800,6 @@ 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_quickguess.F... -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft' dft_nwmolden.F:98:30: 57 | call ga_brdcst(2020, io_res, inntsize, 0) @@ -82873,6 +82808,28 @@ 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_quickguess.F... +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/scf_dft' +dft_diagn.F:172:72: + + 172 | write(*,"(4x,'Diagonalization Time:',F13.1,'s')") time2-time1 + | ^ +Warning: 'time1' may be used uninitialized [-Wmaybe-uninitialized] +dft_diagn.F:53:28: + + 53 | double precision time1,time2 + | ^ +note: 'time1' was declared here +dft_canorg.F:468:72: + + 468 | dft_nonzvecs=max(noc,dft_nonzvecs) + | ^ +Warning: '__result_dft_nonzvecs' may be used uninitialized [-Wmaybe-uninitialized] +dft_canorg.F:412:35: + + 412 | integer function dft_nonzvecs(g_vecs,nbf,noc) + | ^ +note: '__result_dft_nonzvecs' was declared here dft_scf.F:1573:13: 1573 | if(lvan) then @@ -82960,8 +82917,6 @@ Compiling dft_roks_energy.F... Compiling dft_roks_fock.F... Compiling dft_roks_hessv_2e.F... -Compiling dft_roks_hessv.F... -Compiling dft_roks_hessv_xx.F... dft_cg_answer.F:39:56: 33 | if (.not. rtdb_put(rtdb,'scf:nclosed', mt_int, 1, nclosed)) @@ -82970,6 +82925,17 @@ 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_roks_hessv.F... +Compiling dft_roks_hessv_xx.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_nr_solve.F... dft_roks_hessv_2e.F:298:57: 282 | & calc_type)) then @@ -82978,57 +82944,41 @@ 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_nr_solve.F... -dft_roks_hessv_2e.F:265:72: - - 265 | & time2_2e-time1_2e - | ^ -Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] -dft_roks_hessv_2e.F:38:31: - - 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc - | ^ -note: 'time1_2e' was declared here -dft_roks_hessv_2e.F:265:72: - - 265 | & time2_2e-time1_2e - | ^ -Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] -dft_roks_hessv_2e.F:38:41: - - 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc - | ^ -note: 'time2_2e' was declared here -dft_roks_hessv_2e.F:371:72: - - 371 | & time2_xc-time1_xc - | ^ -Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] -dft_roks_hessv_2e.F:38:51: - - 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc - | ^ -note: 'time1_xc' was declared here -dft_roks_hessv_2e.F:371:72: +Compiling dft_roks_search_precond.F... +Compiling dft_roks_step_energy.F... +Compiling dft_uks_energy.F... +dft_cg_solve.F:120:11: - 371 | & time2_xc-time1_xc - | ^ -Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] -dft_roks_hessv_2e.F:38:61: + 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)). +dft_cg_info.F:54:11: - 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc - | ^ -note: 'time2_xc' was declared here -dft_roks_energy.F:108:45: + 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: - 102 | $ rtdb,'cosmo:energy',mt_dbl,1,ecosmo)) - | 2 + 47 | if (rtdb_get(rtdb, 'dft:level shift info', MT_DBL, 6,shifts)) then + | 2 ...... - 108 | $ rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) - | 1 + 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)). -Compiling dft_roks_search_precond.F... -Compiling dft_roks_step_energy.F... +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) dft_roks_fock.F:384:25: 218 | call ga_dadd(one, g_hcore, mone, g_cdens, g_hcore) @@ -83069,46 +83019,52 @@ 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_uks_energy.F... -Compiling dft_uks_hessv_2e.F... -Compiling dft_uks_hessv.F... -dft_cg_solve.F:120:11: +dft_roks_hessv_2e.F:265:72: - 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)). -dft_cg_info.F:54:11: + 265 | & time2_2e-time1_2e + | ^ +Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] +dft_roks_hessv_2e.F:38:31: - 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: + 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc + | ^ +note: 'time1_2e' was declared here +dft_roks_hessv_2e.F:265:72: - 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: + 265 | & time2_2e-time1_2e + | ^ +Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] +dft_roks_hessv_2e.F:38:41: - 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) + 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc + | ^ +note: 'time2_2e' was declared here +dft_roks_hessv_2e.F:371:72: + + 371 | & time2_xc-time1_xc + | ^ +Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] +dft_roks_hessv_2e.F:38:51: + + 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc + | ^ +note: 'time1_xc' was declared here +dft_roks_hessv_2e.F:371:72: + + 371 | & time2_xc-time1_xc + | ^ +Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] +dft_roks_hessv_2e.F:38:61: + + 38 | double precision time1_2e, time2_2e, time1_xc, time2_xc + | ^ +note: 'time2_xc' was declared here dft_roks_fock.F:435:72: 435 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] +Compiling dft_uks_hessv_2e.F... dft_roks_fock.F:110:31: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc @@ -83129,6 +83085,14 @@ 472 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] +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)). dft_roks_fock.F:110:51: 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc @@ -83144,7 +83108,7 @@ 110 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here -Compiling dft_uks_nr_solve.F... +Compiling dft_uks_hessv.F... dft_roks_nr_solve.F:292:72: 292 | & time2_rot-time1_rot @@ -83165,94 +83129,87 @@ 58 | double precision time1_rot, time2_rot | ^ note: 'time2_rot' was declared here -Compiling dft_uks_search_precond.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_step_energy.F... -dft_uks_hessv_2e.F:204:72: +Compiling dft_uks_nr_solve.F... +dft_uks_energy.F:251:72: - 204 | & time2_2e-time1_2e + 251 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] -dft_uks_hessv_2e.F:41:31: +dft_uks_energy.F:26:31: - 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc + 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here -dft_uks_hessv_2e.F:204:72: +dft_uks_energy.F:251:72: - 204 | & time2_2e-time1_2e + 251 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] -dft_uks_hessv_2e.F:41:41: +dft_uks_energy.F:26:41: - 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc + 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here -dft_uks_hessv_2e.F:265:72: +dft_uks_energy.F:272:72: - 265 | & time2_xc-time1_xc + 272 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] -dft_uks_hessv_2e.F:41:51: +dft_uks_energy.F:26:51: - 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc + 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here -dft_uks_hessv_2e.F:265:72: +dft_uks_energy.F:272:72: - 265 | & time2_xc-time1_xc + 272 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] -dft_uks_hessv_2e.F:41:61: +dft_uks_energy.F:26:61: - 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc + 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here -dft_uks_energy.F:251:72: +Compiling dft_uks_search_precond.F... +Compiling dft_uks_step_energy.F... +dft_uks_hessv_2e.F:204:72: - 251 | & time2_2e-time1_2e + 204 | & time2_2e-time1_2e | ^ Warning: 'time1_2e' may be used uninitialized [-Wmaybe-uninitialized] -dft_uks_energy.F:26:31: +dft_uks_hessv_2e.F:41:31: - 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc + 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_2e' was declared here -dft_uks_energy.F:251:72: +dft_uks_hessv_2e.F:204:72: - 251 | & time2_2e-time1_2e + 204 | & time2_2e-time1_2e | ^ Warning: 'time2_2e' may be used uninitialized [-Wmaybe-uninitialized] -dft_uks_energy.F:26:41: +dft_uks_hessv_2e.F:41:41: - 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc + 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_2e' was declared here -dft_uks_energy.F:272:72: +dft_uks_hessv_2e.F:265:72: - 272 | & time2_xc-time1_xc + 265 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] -dft_uks_energy.F:26:51: +dft_uks_hessv_2e.F:41:51: - 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc + 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time1_xc' was declared here -dft_uks_energy.F:272:72: +dft_uks_hessv_2e.F:265:72: - 272 | & time2_xc-time1_xc + 265 | & time2_xc-time1_xc | ^ Warning: 'time2_xc' may be used uninitialized [-Wmaybe-uninitialized] -dft_uks_energy.F:26:61: +dft_uks_hessv_2e.F:41:61: - 26 | double precision time1_2e, time2_2e, time1_xc, time2_xc + 41 | double precision time1_2e, time2_2e, time1_xc, time2_xc | ^ note: 'time2_xc' was declared here dft_uks_nr_solve.F:199:72: @@ -83312,7 +83269,6 @@ 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 diis_hamwgt_so.F... grad_force_so.F:269:63: 267 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) @@ -83321,9 +83277,59 @@ 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 diis_hamwgt_so.F... Compiling diis_refvec_so.F... Compiling movecs_anal_so.F... Compiling getv_coul.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 getv_exch0.F... diis_refvec_so.F:29:43: 21 | call ga_get(g_err(2),1,1,1,1,diag,1) @@ -83388,60 +83394,9 @@ 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) -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 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... movecs_anal_so.F:464:49: 462 | call ga_dgemm('n','n',nbf,nmo,nbf,1.0d0,g_tmp1,g_vecs, @@ -83458,19 +83413,10 @@ 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_dftxc.F... +Compiling sym_mo_adapt_so.F... 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... -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 ga_orthog_so.F... vectors_so.F:164:43: 164 | call ga_brdcst(Msg_Vec_EVal+MSGDBL, evals, mdtob(nbf), 0) @@ -83479,6 +83425,7 @@ 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)). +Compiling sym_mo_ap_op_so.F... vectors_so.F:264:48: 264 | $ 'movecs_gather_so: ga_destroy failed', g_tmp, GA_ERR) @@ -83487,8 +83434,17 @@ 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 sym_op_clsfy_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 ga_orth_mos_so.F... +Compiling ga_orthog_so.F... Compiling sym_op_cname_so.F... -Compiling grad_dens_so2.F... sym_mo_adapt_so.F:343:18: 343 | if(i1 .eq. pair)i1 = i2 @@ -83509,9 +83465,7 @@ 43 | integer class, i, j, ioff, ir, ii, i1, i2, pair | ^ note: 'i2' was declared here -Compiling dft_scf_utils_so.F... -Compiling dft_frac_mo_so.F... -Compiling xc_exso.F... +Compiling grad_dens_so2.F... dft_scf_so.F:1759:72: 1759 | ihigh = nfilled + nmo_fon + nmo_fon2 @@ -83522,6 +83476,10 @@ 60 | integer nfilled, ilow, ihigh | ^ note: 'nfilled' was declared here +Compiling dft_scf_utils_so.F... +Compiling dft_frac_mo_so.F... +Compiling xc_exso.F... +Compiling getv_coul_cd.F... dft_frac_mo_so.F:59:9: 48 | loccup = rtdb_get(rtdb,'focc:occup',mt_int,2,nfocc_in) @@ -83530,7 +83488,6 @@ 59 | & dbl_mb(k_occ)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). -Compiling getv_coul_cd.F... vectors_so.F:676:72: 676 | end @@ -83604,8 +83561,8 @@ Compiling xc_getv.F... Compiling xc_getvxc.F... Compiling xc_exact_pot.F... -Compiling xc_sicutil.F... Compiling chk_dens.F... +Compiling xc_sicutil.F... Compiling xc_util.F... Compiling xc_chkdispauto.F... Compiling xc_vdw_init.F... @@ -83682,6 +83639,8 @@ Compiling xc_vwn_5.F... Compiling xc_eval_fnl.F... Compiling xc_fd.F... +Compiling xc_pbe96.F... +Compiling xc_hcth.F... xc_eval_fnl.F:2046:29: 2046 | & 0d0, .false., 0d0, @@ -83692,8 +83651,6 @@ 2046 | & 0d0, .false., 0d0, | 1 Warning: Rank mismatch in argument 'lmat' at (1) (rank-1 and scalar) -Compiling xc_pbe96.F... -Compiling xc_hcth.F... Compiling xc_xpbe96.F... Compiling xc_xpw91.F... Compiling xc_tarad.F... @@ -83701,10 +83658,6 @@ 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... xc_pbe96.F:1424:72: 1424 | Ec = Ec+(H0*rhoval)*qwght(n)*fac @@ -83745,11 +83698,10 @@ 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here -Compiling xc_cMpbe96.F... -Compiling xc_xtpss03.F... -Compiling xc_ctpss03.F... -Compiling xc_oep.F... -Compiling xc_sic_pert.F... +Compiling xc_gill96.F... +Compiling xc_xmpw91.F... +Compiling xc_xpkzb99.F... +Compiling xc_cpkzb99.F... xc_pbe96.F:1424:72: 1424 | Ec = Ec+(H0*rhoval)*qwght(n)*fac @@ -83790,6 +83742,11 @@ 28 | logical lfac, nlfac, lfacl, nlfacl | ^ note: 'nlfac' was declared here +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... @@ -83800,14 +83757,6 @@ Compiling xc_lb94.F... Compiling xc_cs00.F... Compiling xc_op.F... -Compiling xc_kop.F... -Compiling xc_bc95.F... -Compiling xc_xm05.F... -Compiling xc_cm05.F... -Compiling xc_xpw6.F... -Compiling xc_xvs98.F... -Compiling xc_cvs98.F... -Compiling xc_xm06.F... xc_pbe96.F:1420:72: 1420 | Ec = Ec+nepsc*qwght(n)*fac @@ -83893,7 +83842,14 @@ 137 | double precision d2fAtnumdt2, d2fAtnumdtdA, d2fAtnumdA2 | ^ note: 'd2fatnumdtda' was declared here -Compiling xc_cm06.F... +Compiling xc_kop.F... +Compiling xc_bc95.F... +Compiling xc_xm05.F... +Compiling xc_cm05.F... +Compiling xc_xpw6.F... +Compiling xc_xvs98.F... +Compiling xc_cvs98.F... +Compiling xc_xm06.F... xc_xm05.F:258:72: 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) @@ -83919,6 +83875,7 @@ 258 | & + at8*W8 + at9*W9 + at10*W10 + at11*W11) | ^ Warning: 'at11' may be used uninitialized [-Wmaybe-uninitialized] +Compiling xc_cm06.F... xc_xm05.F:54:37: 54 | double precision at, at10, at11, C1, C2, fL, fNL @@ -84006,7 +83963,6 @@ note: 'at9' was declared here Compiling xc_spbe96.F... Compiling xc_kt1.F... -Compiling xc_ssbD_1.F... xc_cm05.F:350:72: 350 | dWdU=sss1+U*(F2*sss2+U*(F3*sss3+U*F4*sss4)) @@ -84047,10 +84003,7 @@ 275 | double precision ss, sss0,sss1, sss2, sss3, sss4, Css | ^ note: 'sss4' was declared here -Compiling xc_s12x.F... -Compiling xc_cams12x.F... -Compiling xc_camb88.F... -Compiling xc_att_xc.F... +Compiling xc_ssbD_1.F... xc_cm05.F:220:72: 220 | W = sopp0+U*(sopp1+U*(sopp2+U*(sopp3+U*sopp4))) @@ -84091,6 +84044,10 @@ 82 | double precision sop, sopp0, sopp1,sopp2, sopp3, sopp4 | ^ note: 'sopp4' was declared here +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... @@ -84099,6 +84056,7 @@ Compiling xc_xmvs15.F... Compiling xc_xm11.F... Compiling xc_xmn12.F... +Compiling xc_xmn15.F... xc_xsogga.F:278:72: 278 | $ fb0+fb1+fb2+fb3+fb4+fb5 @@ -84184,8 +84142,8 @@ 57 | double precision CxB0,CxB1,CxB2,CxB3,CxB4,CxB5 | ^ note: 'cxb5' was declared here -Compiling xc_xmn15.F... Compiling xc_csogga.F... +Compiling xc_cm11.F... xc_csogga.F:65:31: 65 | double precision CcA(0:5),CcB(0:5) @@ -84204,7 +84162,6 @@ xc_csogga.F:65:40: Warning: 'ccb[3]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[4]' may be used uninitialized [-Wmaybe-uninitialized] xc_csogga.F:65:40: Warning: 'ccb[5]' may be used uninitialized [-Wmaybe-uninitialized] -Compiling xc_cm11.F... Compiling steric_energy.F... Compiling xc_3rd_deriv.F... Compiling xc_xpw86.F... @@ -84497,6 +84454,8 @@ 159 | double precision dadp,dadg,dadt,dadr | ^ note: 'dadt' was declared here +Compiling xc_xncap.F... +Compiling xc_xr2scan.F... xc_cscan.F:341:72: 341 | & fca*(dEc0dg-dEc1dg) + dfcadg*(Ec0-Ec1)) @@ -84557,12 +84516,8 @@ 113 | double precision alpha,dalphadzeta,dalphadn,dalphadg,dalphadt | ^ note: 'dalphadt' was declared here -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... xc_cscanl.F:359:72: 359 | & dfcadt*(Ec0-Ec1)*dtdgb) @@ -84588,6 +84543,8 @@ 112 | double precision dtdna, dtdnb, dtdga, dtdgb, dtdla, dtdlb, dtuegdn | ^ Warning: 'dtdnb' may be used uninitialized [-Wmaybe-uninitialized] +Compiling xc_cr2scanl.F... +Compiling xc_hcth_extra.F... Compiling xc_rhogen_adft.F... Compiling xc_tabcd_adft.F... Compiling xc_vdw_main.F... @@ -84744,8 +84701,6 @@ 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_memory.F... -Compiling grid_update_rtdb.F... grid_invariant.F:235:19: 151 | call ycopy(9,0d0,0,qrot, 1) @@ -84762,7 +84717,6 @@ 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_tasks.F... grid_list.F:143:25: 143 | if (r.lt.r1) then @@ -84803,7 +84757,7 @@ 33 | & r4, RR, q1 | ^ note: 'r4' was declared here -Compiling grid_gen_pts.F... +Compiling grid_memory.F... grid_acc_def.F:336:57: 317 | if (.not. rtdb_get(rtdb,'qmmm:init',mt_log,1,qmmm_init)) @@ -84820,6 +84774,7 @@ 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_update_rtdb.F... grid_rtrunc.F:110:36: 108 | call ga_dgop(msg_igop_tru3,range_max,1,'max') @@ -84860,6 +84815,8 @@ 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... @@ -84870,14 +84827,6 @@ Compiling grid_xcfit.F... Compiling dftg_loop.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/grid' -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)). grid_checks.F:66:72: 66 | iangquad=iag_old @@ -84888,6 +84837,14 @@ 31 | , k_iscr,l_iscr,k_rq,l_rq,iag_old | ^ note: 'iag_old' was declared here +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_pscreen.F... Compiling grid_sphere.F... Compiling grid_ssw.F... @@ -84908,6 +84865,8 @@ 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_quadv0.F... +Compiling grid_quadv0a.F... grid_sswold.F:91:72: 91 | radwgh=(1.d0-ass)*sqrt(distnn)*0.5d0 @@ -84918,11 +84877,17 @@ 36 | double precision ass,distnc,distnn,wsum | ^ note: 'ass' was declared here -Compiling grid_quadv0.F... -Compiling grid_quadv0a.F... Compiling grid_quadv0b.F... Compiling grid_quadvc.F... Compiling grid_file.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) Compiling grid_eaf.F... grid_quadv0.F:463:72: @@ -84953,14 +84918,6 @@ 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_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_quadv0b.F:302:11: 289 | & iniz, docset, bas_cent_info, bas_cset_info) @@ -85137,6 +85094,16 @@ Compiling dftg_gridv0b.F... Compiling dftg_griddo.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/dftgrad' +dftg_getxc.F:218:72: + + 218 | tol_rho = tol_rho_scf + | ^ +Warning: 'tol_rho_scf' may be used uninitialized [-Wmaybe-uninitialized] +dftg_getxc.F:50:34: + + 50 | double precision tol_rho_scf ! store scf tol_rho before hack + | ^ +note: 'tol_rho_scf' was declared here dftg_gridv0a.F:147:56: 144 | if (.not. rtdb_get(rtdb, 'dft:lcdft', mt_log, 1, lcdft)) @@ -85150,16 +85117,22 @@ 162 | & call errquit('dft_gridv0a: get multipliers failed', 0) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) -dftg_getxc.F:218:72: +dftg_gridv0b.F:332:22: - 218 | tol_rho = tol_rho_scf - | ^ -Warning: 'tol_rho_scf' may be used uninitialized [-Wmaybe-uninitialized] -dftg_getxc.F:50:34: + 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: - 50 | double precision tol_rho_scf ! store scf tol_rho before hack - | ^ -note: 'tol_rho_scf' was declared here + 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)). dftg_gridv0.F:195:9: 177 | if (.not. rtdb_get(rtdb, 'dft:grad_nq', mt_int, 1, nqstep)) @@ -85178,22 +85151,6 @@ 33 | . iga_dens, force, 0d0, 0, 1, natoms, | 1 Warning: Rank mismatch in argument 'g_rhs' at (1) (rank-1 and scalar) -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)). dft_gradients.F:544:52: 143 | if (.not.rtdb_get(rtdb,'dft:cgmin', mt_log, 1, cgmin)) @@ -85310,6 +85267,14 @@ 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)). +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)). tddft_energy.F:163:54: 135 | if (.not. rtdb_get(rtdb, 'dft:rodft', mt_log, 1, rodft)) @@ -85326,14 +85291,6 @@ 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)). -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)). tddft_init.F:151:55: 139 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then @@ -85425,6 +85382,7 @@ Compiling tddft_civecs_phase.F... Compiling tddft_oscstr.F... Compiling tddft_checkpoint.F... +Compiling tddft_restart.F... tddft_analysis.F:241:46: 216 | if (.not.rtdb_get(rtdb,'tddft:do_s2',mt_log,1,do_s2)) @@ -85457,11 +85415,8 @@ 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_restart.F... Compiling tddft_s2.F... Compiling tddft_simpleso.F... -Compiling tddft_lanczos.F... -Compiling tddft_lanczos_tda.F... tddft_restart.F:94:42: 75 | call ga_brdcst(Msg_Vec_NBF+MSGINT, ios, inntsize, 0) @@ -85470,8 +85425,12 @@ 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_lanczos.F... +Compiling tddft_lanczos_tda.F... Compiling tddft_dipole.F... Compiling tddft_prod_v.F... +Compiling tddft_basis.F... +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft' tddft_lanczos.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. @@ -85488,7 +85447,14 @@ 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_basis.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)). tddft_lanczos_tda.F:144:10: 142 | 1 xc_active_save)) xc_active_save=.false. @@ -85497,6 +85463,14 @@ 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_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) tddft_lanczos_tda.F:148:60: 145 | if (.not.rtdb_put(rtdb,'bgj:xc_active',mt_log,1,.true.)) @@ -85505,15 +85479,6 @@ 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)). -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft' -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)). tddft_analysis.F:1119:20: 1119 | if (lvelok) then @@ -85524,14 +85489,6 @@ 149 | logical lvelok ! check for division by zero in vel. gauge | ^ note: 'lvelok' was declared here -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) Compiling tddft_fock_fit.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft' @@ -85619,6 +85576,7 @@ Compiling tddft_grad_trans_mo2ao.F... Compiling tddft_grad_trans_ao2mo.F... Compiling tddft_grad_mat_to_vec.F... +Compiling tddft_grad_solve.F... tddft_grad_compute_r.F:644:60: 182 | if (.not.rtdb_put(rtdb,'fock_xc:triplet',mt_log,1,.false.)) @@ -85627,7 +85585,7 @@ 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_solve.F... +Compiling tddft_grad_epsilon.F... tddft_grad_trans_ao2mo.F:199:72: 199 | blo(1) = (ip-1)*nroot+ir @@ -85638,29 +85596,28 @@ 98 | integer iroot ! the first root to be transformed | ^ note: 'iroot' was declared here -Compiling tddft_grad_epsilon.F... -Compiling tddft_grad_solve_product.F... -Compiling tddft_grad_solve_precond.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) tddft_grad_trans_mo2ao.F:196:72: 196 | ahi(1) = ir | ^ Warning: 'iroot' may be used uninitialized [-Wmaybe-uninitialized] +Compiling tddft_grad_solve_product.F... tddft_grad_trans_mo2ao.F:98:19: 98 | integer iroot ! the first root to be transformed | ^ note: 'iroot' was declared here +Compiling tddft_grad_solve_precond.F... Compiling tddft_grad_compute_p.F... Compiling tddft_grad_compute_w.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_g.F... Compiling tddft_grad_compute_dao.F... Compiling tddft_grad_get_dens.F... @@ -85707,9 +85664,6 @@ 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... tddft_grad_irreg_acc.F:149:72: 149 | ld(2) = lenk @@ -85720,9 +85674,15 @@ 63 | integer lenk ! the number of consequetive functions in the | ^ note: 'lenk' was declared here +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... 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... tddft_grad_solve_load_x.F:121:28: 106 | call ga_brdcst(1001,x_exists,ma_sizeof(MT_LOG,1,MT_BYTE),0) @@ -85731,9 +85691,6 @@ 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_dfxc.F... -Compiling tddft_grad_quadv0b.F... -Compiling tddft_grad_dvxc.F... Compiling tddft_grad_mpole.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/lr_tddft_grad' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock @@ -85759,23 +85716,6 @@ Compiling calc_zora_EFGZ4_SO.F... Compiling dft_zora_NMR.F... Compiling zora_getv_NMRCS_SR.F... -Compiling calc_zora_NMRCS_SR.F... -Compiling dft_zora_EPR.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) -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_rhos_so.F:746:15: 738 | if (.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1,nefc)) @@ -85792,9 +85732,18 @@ 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) +Compiling calc_zora_NMRCS_SR.F... +Compiling dft_zora_EPR.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)). Compiling dft_zora_EPR-NMR_tools.F... Compiling zora_getv_EPR.F... -Compiling calc_zora_EPR.F... dft_zora_utils.F:213:72: 213 | scale_MO=scf_dbl @@ -85805,22 +85754,14 @@ 44 | double precision eval_scal,ener_scal,scf_dbl | ^ note: 'scf_dbl' was declared here -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: +dft_zora_utils_so.F:284:29: - 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)). + 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 calc_zora_EPR.F... dft_zora_EPR.F:47:32: 47 | & mt_log,1,do_prntNMRCS)) ! FA @@ -85829,7 +85770,6 @@ 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)). -Compiling dft_zora_Hyperfine.F... dft_zora_rhos.F:560:41: 560 | call ga_put(g_AtNr,1,1,ii,ii,AtNr_dbl,1) @@ -85886,6 +85826,7 @@ 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)). +Compiling dft_zora_Hyperfine.F... Compiling zora_getv_HFine.F... Compiling calc_zora_HFine.F... dft_zora_EPR.F:376:72: @@ -85898,7 +85839,6 @@ 339 | double precision toac(2),coeffpol,toscale | ^ note: 'coeffpol' was declared here -Compiling zora_getv_sf.F... dft_zora_rhos.F:487:15: 487 | if (.not.ma_alloc_get(mt_dbl,ipol*noc1,'Ci',l_Ci,k_Ci)) @@ -85919,6 +85859,39 @@ 458 | integer noc1 ! Total # of occupied MOs | ^ note: 'noc1' declared here +Compiling zora_getv_sf.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)). +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)). Compiling zora_getv_so.F... zora_getv_sf.F:293:72: @@ -85940,39 +85913,16 @@ 62 | integer g_densrep(2),g_dens0(2),dorep_glob | ^ note: 'g_dens0[1]' was declared here -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_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: +dft_zora_Hyperfine.F:814:72: - 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)). -dft_zora_Hyperfine.F:48:32: + 814 | & nexc) + | ^ +Warning: 'k_zetanuc' may be used uninitialized [-Wmaybe-uninitialized] +dft_zora_Hyperfine.F:782:33: - 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)). -Compiling calc_EFG.F... + 782 | integer l_zetanuc,k_zetanuc + | ^ +note: 'k_zetanuc' declared here zora_getv_so.F:282:72: 282 | g_dens(1)=g_dens0(1) @@ -85993,21 +85943,28 @@ 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... -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 calc_zora_so.F... Compiling calc_zora_facs.F... Compiling get_ints_zora.F... Compiling zora_recalc.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)). make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/zora' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/zora' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock @@ -86059,16 +86016,21 @@ Compiling matutils.F... Compiling dmat_io.F... Compiling zmat_diag.F... -Compiling zmat_inv.F... Compiling zmat_checksum.F... +Compiling zmat_inv.F... Compiling zmat_spectral_range.F... -Compiling zmat_max_abs_elem.F... -Compiling zmat_compare.F... -zmat_checksum.F:44:72: +dmat_io.F:52:72: - 44 | $ call errquit (pname//"n1 must equal n2") + 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_max_abs_elem.F... +Compiling zmat_compare.F... pack_ga2buffer.F:133:39: 57 | call ga_get (g_a, 1, n, i, i, dbl_mb(itmp), n) @@ -86077,6 +86039,7 @@ 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 elem_compare.F... pack_buffer2ga.F:138:39: 60 | call ga_put (g_a, 1, n, i, i, dbl_mb(itmp), n) @@ -86085,19 +86048,9 @@ 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)). -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) -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: +zmat_checksum.F:44:72: - 154 | $ call errquit (pname//"n1 must equal n2") + 44 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) zmat_spectral_range.F:55:72: @@ -86105,15 +86058,9 @@ 55 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) -Compiling elem_compare.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: +zmat_max_abs_elem.F:47:72: - 62 | $ call errquit (pname//"size of ainv must match size of a") + 47 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) Compiling calc_array_partitioning.F... @@ -86137,6 +86084,16 @@ 701 | $ call errquit (pname//"size of evecs must match size of mat") | 1 Warning: Missing actual argument for argument '_formal_7' at (1) +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) matutils.F:458:72: 458 | $ call errquit (pname//"n1 must equal n2") @@ -86246,7 +86203,6 @@ 116 | $ call errquit (pname//"failed to destroy fullre", 0,GA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) -Compiling rt_tddft_excite.F... rt_tddft_geom_mask.F:119:72: 119 | $ call errquit (pname//"failed to destroy fullim", 0,GA_ERR) @@ -86257,10 +86213,39 @@ 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_excite.F... Compiling rt_tddft_checkpoint.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_zora_scale.F... -Compiling rt_tddft_project.F... -Compiling rt_tddft_zdens_tot_movecs.F... rt_tddft_calc.F:363:31: 171 | call rt_tddft_geom_mask (params, params%g_dip%x, ig, g_dip_maskd) @@ -86269,8 +86254,7 @@ 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_restart.F... -Compiling rt_tddft_mocap.F... +Compiling rt_tddft_project.F... rt_tddft_movecs_import.F:330:72: 330 | call rt_tddft_movecs_fname (params, rt_movecs_fname) @@ -86301,54 +86285,11 @@ 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) -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_zdens_tot_movecs.F... +Compiling rt_tddft_restart.F... +Compiling rt_tddft_mocap.F... Compiling rt_tddft_calc_dip_contribs.F... Compiling rt_tddft_spatialcap.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)). rt_tddft_excite.F:376:47: 376 | val = val * rt_tddft_hann_window (field, tt) @@ -86377,7 +86318,6 @@ 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_spatial_potential.F... rt_tddft_calc_dip_contribs.F:207:25: 183 | $ (1d0,0d0), params%g_zX, g_zCprime, (0d0,0d0), g_zCao) @@ -86386,6 +86326,52 @@ 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_spatial_potential.F... +Compiling rt_tddft_complex_evals.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)). +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)). +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) rt_tddft_output.F:427:72: 427 | call rt_tddft_print_val (params, tt, params%Enuc, "Enuc") @@ -86451,35 +86437,6 @@ 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_complex_evals.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) -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)). rt_tddft_spatial_potential.F:111:22: 107 | $ mt_dbl, 1, cap_gammamax)) call errquit (pname// @@ -86518,8 +86475,8 @@ Compiling rt_tddft_input_print.F... Compiling rt_tddft_input_excite.F... Compiling rt_tddft_input_tolerances.F... -Compiling rt_tddft_input_visualization.F... Compiling rt_tddft_input_mocap.F... +Compiling rt_tddft_input_visualization.F... Compiling rt_tddft_input_spatialcap.F... Compiling rt_tddft_input.F... rt_tddft_input_put_defaults.F:110:20: @@ -86636,8 +86593,6 @@ Compiling rt_tddft_init_check_params.F... Compiling rt_tddft_init_overlap_canorg.F... Compiling rt_tddft_init_common.F... -Compiling rt_tddft_clean.F... -Compiling task_rt_tddft.F... rt_tddft_init_rtdb.F:38:22: 26 | $ mt_dbl, 1, params%dt)) call errquit (pname// @@ -86646,6 +86601,7 @@ 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_clean.F... rt_tddft_init_coulcdfit.F:217:72: 217 | params%iwhat_max = iwhat_max @@ -86676,6 +86632,7 @@ 44 | integer fd | ^ note: 'fd' was declared here +Compiling task_rt_tddft.F... rt_tddft_init_check_params.F:41:72: 41 | call rt_tddft_init_check_fields (params) @@ -86739,14 +86696,14 @@ Compiling prop_magnus_ord2_interpol.F... Compiling prop_magnus_ord2_step.F... Compiling prop_rk4.F... -exp_diag.F:66:72: +exp_pseries.F:81:72: - 66 | $ call errquit (pname//"n1 must equal n2") + 81 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) -exp_pseries.F:81:72: +exp_diag.F:66:72: - 81 | $ call errquit (pname//"n1 must equal n2") + 66 | $ call errquit (pname//"n1 must equal n2") | 1 Warning: Missing actual argument for argument '_formal_8' at (1) make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/rt_tddft/propagators' @@ -86886,6 +86843,11 @@ Compiling calc_x2c_hfc_scalar.F... Compiling write_x2c_pc_dip.F... Compiling read_x2c_pc_dip.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) calc_x2c_efg_scalar.F:480:23: 176 | call ga_zero(g_efgint) @@ -86926,17 +86888,12 @@ 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) -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 x2c_utils.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 x2c_utils.F... Compiling x2c_scf.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwdft/x2c' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwdft.lock @@ -86958,15 +86915,14 @@ Compiling mk_1d_shdist.F... Compiling ga_by_shells.F... Compiling xf3ci_step12.F... -Compiling xf3ci_step3.F... Compiling xform_3cints.F... +Compiling xf3ci_step3.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_v_e2.F:164:56: 161 | if (.not. rtdb_get(rtdb, 'mp2:scs', mt_log, 1, scs)) @@ -86975,11 +86931,9 @@ 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 rimp2.F... Compiling dgecop.F... Compiling lnblnk.f... -Compiling max_v_diag.F... -Compiling rimp2_parm.F... -Compiling rimp2_timers.F... rimp2.F:130:54: 126 | if (.not. rtdb_get(rtdb,'dft:dftmp2',mt_log,1,dftmp2)) @@ -86988,8 +86942,10 @@ 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 max_v_diag.F... +Compiling rimp2_parm.F... +Compiling rimp2_timers.F... Compiling pr_corr_map.F... -Compiling prog_report.F... rimp2_parm.F:31:20: 23 | If ( .NOT. RTDB_Get( RTDB, 'mp2:aotol2e', MT_Dbl, 1, Thresh) ) @@ -86998,6 +86954,7 @@ 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 prog_report.F... Compiling xf3ci_mem12.F... Compiling iamax.f... Compiling rimp2_e_mem.F... @@ -87035,8 +86992,6 @@ Compiling stpr_fndmde.F... Compiling stpr_formup.F... Compiling stpr_gmass.f... -Compiling stpr_hesupd.F... -Compiling stpr_hmass.f... stpr_chkhess.F:31:10: 31 | IF (LSYM) THEN @@ -87047,6 +87002,8 @@ 11 | LOGICAL LSYM | ^ note: 'lsym' was declared here +Compiling stpr_hesupd.F... +Compiling stpr_hmass.f... Compiling stpr_inihes.F... Compiling stpr_face.F... Compiling stpr_locate.f... @@ -87064,6 +87021,7 @@ 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)). +Compiling stpr_pmat.f... stpr_face.F:454:62: 437 | if (.not.rtdb_put(rtdb,'stepper:select',MT_INT,(3*nat),selbuf)) @@ -87072,9 +87030,8 @@ 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_pmat.f... -Compiling stpr_prntpd.f... Compiling stpr_projec.f... +Compiling stpr_prntpd.f... Compiling stpr_putbck.f... Compiling stpr_readsq.F... Compiling stpr_save.F... @@ -87176,14 +87133,6 @@ Compiling lbfgs_utils.F... Compiling socket_driver.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/driver' -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)). socket_driver.F:150:42: 121 | call util_talker_read(sock,msg,12) @@ -87200,6 +87149,14 @@ 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(*)). +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)). lbfgs-b_driver.F:126:58: 110 | if (.not. rtdb_get(irtdb,'onlystress',mt_log,1,onlystress)) @@ -87519,15 +87476,6 @@ 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)). -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)). mepgs_drv.F:2299:72: 2299 | work(i3+1,k) = mass*xx @@ -87568,7 +87516,6 @@ 3087 | double precision check,dfn,dx,fn,itlamb,lambda,lower,upper | ^ note: 'lower' was declared here -make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/mepgs' mepgs_drv.F:2916:10: 2916 | if (abs(gc(lowest)).lt.1.d-10) then @@ -87589,6 +87536,16 @@ 21 | double precision energyts | ^ note: 'energyts' was declared here +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)). +make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/mepgs' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/optim/mepgs' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/liboptim.a mepgs_drv.o mepgs_input.o @@ -87853,36 +87810,36 @@ 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)). -cphf_solve2.F:166:11: +cphf_solve4.F:153:11: - 159 | $ lshift)) lshift=0.0 + 151 | $ precond_tol)) precond_tol=1d-4 | 2 -...... - 166 | $ maxiter)) maxiter = 50 + 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_solve2.F:238:61: +cphf_solve4.F:206:61: - 235 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) + 203 | 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)) + 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)). -cphf_solve4.F:153:11: +cphf_solve2.F:166:11: - 151 | $ precond_tol)) precond_tol=1d-4 + 159 | $ lshift)) lshift=0.0 | 2 - 152 | if (.not. rtdb_get(rtdb, 'cphf:maxiter', mt_int, 1, - 153 | $ max_precond_iter)) max_precond_iter = 100 +...... + 166 | $ maxiter)) maxiter = 50 | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). -cphf_solve4.F:206:61: +cphf_solve2.F:238:61: - 203 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) + 235 | 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)) + 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)). cphf_solve3.F:227:11: @@ -87922,8 +87879,8 @@ Compiling ccden_2pdmb.F... Compiling ccsd_mktau_ga.F... Compiling ccden_interm4.F... -Compiling ccsd_itm.F... Compiling aoccsd2.F... +Compiling ccsd_itm.F... Compiling ccsd_itm_omp.F... Compiling ccsd_t2pm.F... ccsd_driver.F:357:57: @@ -87943,6 +87900,7 @@ | 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... aoccsd2.F:319:11: 316 | if (.not.rtdb_get(rtdb,'ccsd:use_ccsd_omp',mt_log,1,use_ccsd_omp)) @@ -87951,6 +87909,10 @@ 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_idx1.F... +Compiling ccsd_idx2.F... +Compiling ccsd_idx34.F... +Compiling ccsd_tengy.F... ccsd_t2pm.F:436:38: 399 | if (eaf_read(sxy_hl,faddr,icount,intsize*2).ne.0) @@ -87975,17 +87937,44 @@ 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_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... 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... +Compiling ccsd_mktask.F... +Compiling ccsd_mkt2.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_pdiis.F... +Compiling ccsd_trpmo.F... +Compiling ccsd_rdtrpo.F... moints_trp.F:136:72: 136 | $ ('moints: cannot get geometry', 0, GEOM_ERR) @@ -88121,40 +88110,10 @@ 453 | $ call errquit('moints_trp: pop sym',0, MA_ERR) | 1 Warning: More actual than formal arguments in procedure call at (1) -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... -Compiling ccsd_mktask.F... -Compiling ccsd_mkt2.F... -Compiling ccsd_pdiis.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_trpmo.F... -Compiling ccsd_rdtrpo.F... Compiling qstat.F... Compiling cputime.F... +Compiling rddcom.F... +Compiling ccsd_input.F... qstat.F:182:34: 179 | call ga_dgop(msg_qstat_3,nrout,1,'min') @@ -88163,8 +88122,6 @@ 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 rddcom.F... -Compiling ccsd_input.F... ccsd_input.F:71:57: 63 | if (.not. rtdb_put(rtdb, 'ccsd:maxiter', mt_int, 1, maxit)) @@ -88286,6 +88243,8 @@ Compiling vib_zmatin.F... Compiling vib_intense.F... Compiling vib_istep.F... +Compiling vib_thermo.F... +Compiling vib_phonon.F... vib_wrtfreq.F:199:50: 194 | if (.not.rtdb_put(rtdb,'vib:linear',mt_log,1,.true.)) @@ -88294,11 +88253,17 @@ 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_thermo.F... -Compiling vib_phonon.F... Compiling vib_zone_input.F... Compiling vib_input.F... make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/vib' +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)). vib_istep.F:252:33: 248 | & mt_dbl,1,step_size)) then @@ -88315,14 +88280,6 @@ 138 | > dbl_mb(kvs(1)))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). -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)). vib_phonon.F:1127:30: 1125 | call yscal(2*nion3*nion3,1.0d6,dmat,1) @@ -88447,7 +88404,16 @@ Compiling mcscf_orb.F... Compiling mcscf_prcnd.F... Compiling mcscf_debug.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_input.F... +Making all in detci mcscf_input.F:75:59: 67 | if (.not. rtdb_put(rtdb, 'mcscf:thresh', mt_dbl, 1, conv)) @@ -88456,24 +88422,7 @@ 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 make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf/detci' -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)). -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) mcscf_aux.F:337:58: 335 | if (.not. rtdb_get(rtdb, 'mcscf:tol2e', MT_DBL, 1, tol2e)) @@ -88546,6 +88495,14 @@ 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) +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 detci_aux.F... Compiling detci_intf.F... make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mcscf/detci' @@ -88619,7 +88576,6 @@ Compiling pre_check.F... Compiling pre_collaps.F... Compiling pre_crop.F... -Compiling pre_dih.F... pre_charge.F:190:51: 131 | if(.not.rtdb_put(irtdb,'charge',mt_dbl,1,charge)) @@ -88628,6 +88584,7 @@ 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_dih.F... Compiling pre_dihimp.F... Compiling pre_dihsel.F... Compiling pre_dimens.F... @@ -88635,6 +88592,7 @@ Compiling pre_dummy.F... Compiling pre_equiv.F... Compiling pre_excl.F... +Compiling pre_ffield.F... pre_collaps.F:278:72: 278 | xs(k,i)=xs(k,i)+root*tran(k) @@ -88665,7 +88623,6 @@ 45 | real*8 tr(3),tran(3),xmax(3),xmin(3) | ^ note: 'tran[2]' was declared here -Compiling pre_ffield.F... Compiling pre_fix.F... Compiling pre_frgsiz.F... Compiling pre_frgrd.F... @@ -88682,6 +88639,30 @@ 251 | if(pre_protein(cseq(1,i))) goto 14 | 1 Warning: Missing actual argument for argument '_formal_15' at (1) +Compiling pre_merge.F... +Compiling pre_misfit.F... +Compiling pre_mkfrg.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_mklist.F... pre_input.F:1239:72: 1239 | if(.not.inp_i(icolgrp)) call md_abort('pre_input collapse_group') @@ -88732,34 +88713,9 @@ 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_merge.F... -Compiling pre_misfit.F... -Compiling pre_mkfrg.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_mklist.F... Compiling pre_mknoe.F... Compiling pre_mkrst.F... Compiling pre_mkseq.F... -Compiling pre_mksgm.F... pre_ffield.F:264:9: 264 | if(icomb.ne.jcomb) then @@ -88770,6 +88726,7 @@ 39 | integer i,j,length,nt,ng,latnum,mult,ifnd,nd,jcomb | ^ note: 'jcomb' was declared here +Compiling pre_mksgm.F... Compiling pre_mktop.F... Compiling pre_modify.F... Compiling pre_multip.F... @@ -88840,12 +88797,12 @@ 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... +Compiling pre_seqsiz.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... @@ -88897,7 +88854,6 @@ Compiling esp_getx.F... Compiling esp_grdcnt.F... Compiling esp_grid.F... -Compiling esp_input.F... esp_grid.F:70:31: 29 | call ga_brdcst(mre_013,v,ngrid*ma_sizeof(mt_dbl,1,mt_byte),0) @@ -88906,8 +88862,10 @@ 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... Compiling esp_malloc.F... Compiling esp_matinv.F... +Compiling esp_out.F... esp_input.F:441:53: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) @@ -88916,6 +88874,7 @@ 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) +Compiling esp_plt.F... esp_input.F:444:51: 433 | if(.not.rtdb_put(irtdb,'esp:probe',mt_dbl,1,probe)) @@ -88932,11 +88891,10 @@ 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_out.F... -Compiling esp_plt.F... Compiling esp_rms.F... Compiling esp_rtdbin.F... Compiling esp_wrtinp.F... +Compiling esp_jacobi.F... esp_rtdbin.F:67:53: 62 | if(.not.rtdb_get(irtdb,'esp:probe',mt_dbl,1,probe)) probe=0.07d0 @@ -88961,7 +88919,6 @@ 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_jacobi.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/esp' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/esp' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libesp.lock @@ -88977,14 +88934,6 @@ Compiling hess_input.F... Making all in analytic make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic' -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)). hess_blas.F:161:31: 79 | $ g_vecs, 1, nbf, 1, nocc, @@ -89001,21 +88950,28 @@ 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) +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 dft make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic/dft' -Compiling xc_d2expl.F... Compiling hess_anal.F... -make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic/dft' Compiling hess_init.F... -Compiling hess_energyinit.F... Compiling hess_check.F... +Compiling hess_energyinit.F... Compiling nucdd_cont.F... Compiling nucdd_calc.F... Compiling oned_calc.F... Compiling onedd_cont.F... +Compiling xc_d2expl.F... +make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/hessian/analytic/dft' Compiling get_wdens.F... -Compiling onedd_calc.F... hess_energyinit.F:63:60: 32 | $ call errquit('hess_energyinit: theory not specified',555, @@ -89040,6 +88996,7 @@ 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 onedd_calc.F... hess_check.F:53:57: 37 | if (.not. rtdb_get(rtdb, 'dyall_mod_dir', MT_LOG, 1, dmd_rel)) @@ -89090,14 +89047,6 @@ Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) Compiling sx_dra.F... Compiling hess_wrt.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)). sx_dra.F:105:51: 41 | call nga_copy_patch('N', g_sx, loa, hia, g_temp, lob, hib) @@ -89106,10 +89055,19 @@ 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) +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_restart.F... Compiling hess_hssout.F... Compiling hess_print.F... Compiling hess_tidy.F... +Compiling uhf_fock_setup.F... hess_tidy.F:77:59: 23 | * call errquit('hess_tidy: geom_destroy problem', 555, GEOM_ERR) @@ -89118,7 +89076,6 @@ 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... @@ -89180,6 +89137,8 @@ Compiling prtcon.f... Compiling wrtcon.f... Compiling iodiff.F... +Compiling bserch.F... +Compiling readh.F... tqlrat.f:145:72: 145 | h = g * p / r @@ -89200,16 +89159,14 @@ 49 | double precision b,c,f,g,h,p,r,s,t,selci_epslon,selci_pythag | ^ note: 'c' was declared here -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 vadd.f... Compiling isum.f... Compiling rd1.F... Compiling fcidim.F... @@ -89217,6 +89174,7 @@ Compiling axbt.f... Compiling gettim.f... Compiling cputm.c... +Compiling minit.F... rd1.F:272:23: 189 | call ifill(nuw,0,u,1) @@ -89275,7 +89233,6 @@ 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 minit.F... Compiling mxmb.f... Compiling selci_check.f... Compiling davids.F... @@ -89283,6 +89240,9 @@ Compiling conf.F... Compiling ci.F... Compiling initci.F... +Compiling rdhead.F... +Compiling load.F... +Compiling loada.F... davids.F:185:26: 167 | call ga_brdcst(101, ci(1,1,nvec), mdtob(nroot*nci), 0) @@ -89301,8 +89261,6 @@ 101 | $ nroot, nci, noconf, nintpo, norbs, nbitpi, thresh) | 1 Warning: Type mismatch in argument 'ioconf' at (1); passed REAL(8) to INTEGER(8) -Compiling rdhead.F... -Compiling load.F... conf.F:465:72: 465 | call selci_excit(irefo, q(ioccrf), q(ixstak)) @@ -89346,14 +89304,13 @@ 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 loada.F... Compiling mkinta.F... Compiling pconls.F... Compiling makeh.F... Compiling mkindb.f... Compiling eij.F... -Compiling makehd.F... Compiling eijeji.F... +Compiling makehd.F... Compiling makef.F... Compiling loadg.F... Compiling getij.F... @@ -89374,38 +89331,7 @@ Compiling selci_select.F... Compiling selci.F... Compiling ptidy.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 anal.F... selci_select.F:45:24: 43 | call ga_brdcst(81,nconmx,mitob(1),0) @@ -89422,9 +89348,14 @@ 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 mkindx.F... -Compiling anal.F... -Compiling slect.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)). ptidy.F:46:22: 43 | call snd(21, noconf-ncold, mitob(1), node0, isync) @@ -89457,6 +89388,32 @@ 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) +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 mkindx.F... +Compiling slect.F... Compiling tester.F... Compiling mkdele.F... Compiling mkvc.F... @@ -89465,6 +89422,7 @@ Compiling stool.F... Compiling restk.F... Compiling restin.F... +Compiling orbanal.F... stool.F:74:22: 71 | call snd(21, (noconf-ncold), mitob(1), node0, isync) @@ -89497,7 +89455,6 @@ 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 orbanal.F... Compiling selci_hpp.F... Compiling mxma.f... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/selci' @@ -89533,6 +89490,23 @@ Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). Compiling ao_rdm_read.F... Compiling get_transden.F... +Compiling get_diffden.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_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)). ao_rdm_read.F:123:72: 123 | return @@ -89543,15 +89517,6 @@ 1 | logical function ao_rdm_read(filename,basis, g_dens) | ^ note: '__result_ao_rdm_read' was declared here -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)). -Compiling get_diffden.F... get_transden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) @@ -89599,14 +89564,6 @@ 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) -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)). get_diffden.F:104:44: 103 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, inntsize, 0) @@ -89686,6 +89643,7 @@ Compiling mp2_input.F... Compiling mp2_make_piy.F... Compiling mp2_make_nos.F... +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mp2_grad' mp2_input.F:126:56: 48 | if (.not. rtdb_put(rtdb, 'mp2:aotol2e', mt_dbl, 1, aotol2e)) @@ -89694,7 +89652,6 @@ 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)). -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mp2_grad' mp2_grad_doit.F:179:51: 143 | if(rtdb_get(rtdb,'mp2:scratchdisk',mt_dbl,1,avail_file)) then @@ -89850,10 +89807,26 @@ Compiling hnd_elpiso.F... Compiling hnd_spind.F... Compiling hnd_elfcon.F... -Compiling hnd_elfcon_symm.F... Compiling hnd_mtpcon.F... Compiling hnd_mtpole.F... +Compiling hnd_elfcon_symm.F... Compiling prop_input.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) +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)). hnd_efgmap.F:115:15: 99 | if (rtdb_get(rtdb,'cosmo:nefc',mt_int,1,ncosbq).and.(ncosbq.gt.0)) @@ -89870,14 +89843,6 @@ 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_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) hnd_elfmap.F:140:35: 57 | if(.not.rtdb_get(rtdb,'bqforceprint',mt_log,1,bqprint)) @@ -89893,14 +89858,14 @@ 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) -hnd_elpmap.F:147:35: +hnd_mtpole.F:485:60: - 125 | if(.not.rtdb_get(rtdb,'prop:cubefile',mt_log,1,ocube)) - | 2 + 481 | if (.not. rtdb_get(rtdb, 'prop:center', mt_int, 1, i_expan)) + | 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)). + 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)). prop_input.F:886:43: 868 | if(.not.rtdb_put(rtdb,tag,mt_log,1,.true.)) @@ -89917,23 +89882,6 @@ 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... -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)). -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)). hnd_mtpole.F:938:72: 938 | do i = 1, ndens @@ -89944,6 +89892,7 @@ 783 | integer g_dens(3),ndens,nclosed(2),nopen(2),nvirt(2) | ^ note: 'ndens' was declared here +Compiling prop.F... hnd_efgmap_z4.F:941:33: 780 | call ga_get(g_Nuc,1,1,ind,ind,valNuc,1) @@ -89984,6 +89933,14 @@ 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) +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... @@ -89993,6 +89950,26 @@ Compiling wshldfile.F... Compiling hnd_prp_get_dens.F... Compiling hnd_prp_vec_read.F... +Compiling hnd_prop_dens_make.F... +Compiling hnd_property.F... +Compiling giaofock.F... +Compiling hnd_giaox.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)). wgshiftfile.F:316:72: 316 | open (lfn, file=fname_gshift, status='unknown') @@ -90013,26 +89990,6 @@ 82 | integer lfn | ^ note: 'lfn' was declared here -Compiling hnd_prop_dens_make.F... -Compiling hnd_property.F... -Compiling giaofock.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 hnd_giaox.F... wshldfile.F:296:72: 296 | open (lfn, file=fname_shield, status='unknown') @@ -90043,9 +90000,6 @@ 73 | integer lfn | ^ note: 'lfn' was declared here -Compiling hnd_hyperfine_zora.F... -Compiling hnd_gshift_zora.F... -Compiling hnd_giaox_zora.F... hnd_giaox.F:287:64: 284 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) @@ -90062,8 +90016,22 @@ 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... +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 +Compiling hnd_gshift_zora.F... +Compiling hnd_giaox_zora.F... Compiling int_giao_1ega.F... Compiling giao_aotomo.F... +Compiling hnd_diag.F... giaofock.F:930:72: 930 | g_dens=g_dens0 @@ -90074,7 +90042,7 @@ 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob | ^ note: 'g_dens0' was declared here -Compiling hnd_diag.F... +Compiling hnd_spinspin.F... int_giao_1ega.F:155:10: 155 | if (type.lt.9) then @@ -90095,7 +90063,6 @@ 45 | integer nblocks | ^ note: 'nblocks' was declared here -Compiling hnd_spinspin.F... Compiling hnd_sdfc.F... Compiling hnd_psoten.F... hnd_spinspin.F:318:54: @@ -90106,19 +90073,14 @@ 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_dsoten.F... -giaofock.F:930:72: - - 930 | g_dens=g_dens0 - | ^ -Warning: 'g_dens0' may be used uninitialized [-Wmaybe-uninitialized] -giaofock.F:776:31: +hnd_giaox_zora.F:352:60: - 776 | integer g_densrep,g_dens0,g_fockrep,g_fock0,dorep_glob - | ^ -note: 'g_dens0' was declared here -Compiling prop_atom.F... -Compiling aoresponse_driver.F... + 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)). giaofock.F:151:72: 151 | cam_beta1 =factor_cam*cam_beta @@ -90139,15 +90101,6 @@ 23 | integer npol,ntot | ^ note: 'ntot' was declared here -Compiling aoresponse_driver_new.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 @@ -90164,6 +90117,7 @@ 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 hnd_dsoten.F... giaofock.F:503:72: 503 | cam_beta1 =factor_cam*cam_beta @@ -90184,6 +90138,10 @@ 366 | integer npol,ntot | ^ note: 'ntot' was declared here +Compiling prop_atom.F... +Compiling aoresponse_driver.F... +Compiling aoresponse_driver_new.F... +Compiling int_mpole_1ega.F... aoresponse_driver.F:215:21: 179 | if (.not.rtdb_get(rtdb, 'aoresponse:velocity', mt_int, 1,ntmp)) @@ -90200,15 +90158,6 @@ 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 int_mpole_1ega.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 aoresponse.F... Compiling aoresponse_beta.F... hnd_hyperfine_zora.F:307:32: @@ -90235,7 +90184,14 @@ 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) -Compiling aor_write_roadata.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)). aoresponse_beta.F:568:58: 560 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.true.)) call @@ -90244,6 +90200,7 @@ 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... aoresponse.F:636:58: 624 | if (.not.rtdb_put(rtdb, 'cphf:skew', mt_log, 1,.false.)) call @@ -90255,6 +90212,24 @@ Compiling aoresponse_beta2.F... Compiling fiao_f1_movecs.F... Compiling aor_r1_tensor.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)). +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 aor_r1_tensor_giao.F... +Compiling aor_r1_beta.F... hnd_gshift_zora.F:2750:57: 2744 | & mt_log,1,skip_csAOev)) @@ -90303,23 +90278,7 @@ 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) -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)). -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 aor_r1_tensor_giao.F... +Compiling aor_r1_beta_anl.F... aor_r1_tensor.F:391:72: 391 | & g_temp) ! in : scratch GA array @@ -90330,19 +90289,6 @@ 128 | double precision ga_trace_diag,coeffre,coeffim | ^ note: 'coeffim' was declared here -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... -Compiling get_vecB1.F... hnd_hyperfine_zora.F:213:10: 213 | if (ac_occ(1) .ne. ac_occ(2)) then @@ -90373,6 +90319,17 @@ 37 | double precision a(6),axs(3,3),eig(3),conv2MHz | ^ note: 'conv2mhz' was declared here +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... +Compiling get_vecB1.F... fiao_b1_movecs.F:217:26: 159 | & mt_int, 1,ndata)) call @@ -90386,8 +90343,6 @@ Compiling aor_get_giaoints.F... Compiling aoresponse_giao_rhs.F... Compiling get_alfaorbeta_reim.F... -Compiling CalcPerturbedTDPmat1.F... -Compiling CalcPerturbedTDPmat1_opt.F... aor_get_giaoints.F:269:61: 264 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) @@ -90396,6 +90351,7 @@ 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 CalcPerturbedTDPmat1.F... aoresponse_giao_rhs.F:294:64: 291 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .true.)) @@ -90404,26 +90360,10 @@ 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 CalcPerturbedTDPmat1_opt.F... Compiling localization_driver.F... Compiling ibo_localization.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 pm_localization.F... -Compiling hnd_vec_write.F... get_alfaorbeta_reim.F:405:72: 405 | ahi(3) = ind1 @@ -90444,7 +90384,23 @@ 367 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here -Compiling giao_b1_movecs_tools.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 hnd_vec_write.F... get_alfaorbeta_reim.F:241:72: 241 | ahi(3) = ind1 @@ -90465,10 +90421,10 @@ 206 | & caseAO,ind1,ind2 | ^ note: 'ind2' was declared here +Compiling giao_b1_movecs_tools.F... Compiling aor_r1_beta_anl_tools.F... Compiling task_raman.F... Compiling raman_input.F... -Compiling raman.F... raman_input.F:93:58: 71 | if (.not.rtdb_put(rtdb, 'prop:newaoresp', mt_int, 1,1)) @@ -90477,7 +90433,7 @@ 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 waimfile.F... +Compiling raman.F... hnd_gshift_zora.F:5074:34: 5074 | double precision val_ov_Coul,val_ov_Exch,val_ov_noJK, @@ -90498,7 +90454,12 @@ 5075 | & val_ov_1e,val_ov_eSji | ^ Warning: 'val_ov_1e' is used uninitialized [-Wuninitialized] -Compiling hnd_eldmap_grid.F... +Compiling waimfile.F... +hnd_gshift_zora.F:2125:72: + + 2125 | & natoms,oskel) + | ^ +Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] waimfile.F:618:61: 335 | if (.not. rtdb_get(rtdb, 'prop:nowfx',mt_log, 1, nowfx)) @@ -90507,44 +90468,11 @@ 618 | $ , MT_DBL,1,etot)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/LOGICAL(8)). -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 -hnd_eldmap_grid.F:111:35: +hnd_gshift_zora.F:2058:25: - 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)). + 2058 | & l_xyz,k_xyz ! dummy variables + | ^ +note: 'k_xyz' was declared here giao_b1_movecs_tools.F:78:60: 78 | if(.not. rtdb_put(rtdb,'bgj:xc_active', MT_LOG, 1, .false.)) @@ -90553,28 +90481,27 @@ 758 | $ calc_type_save)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). -Compiling prop_moldenfile.F... -hnd_gshift_zora.F:2125:72: +Compiling hnd_eldmap_grid.F... +hnd_gshift_zora.F:4939:72: - 2125 | & natoms,oskel) + 4939 | & natoms,oskel) | ^ Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] -hnd_gshift_zora.F:2058:25: +hnd_gshift_zora.F:4881:25: - 2058 | & l_xyz,k_xyz ! dummy variables + 4881 | & l_xyz,k_xyz ! dummy variables | ^ note: 'k_xyz' was declared here -Compiling prop_grid.F... -hnd_gshift_zora.F:4939:72: +ibo_localization.F:633:9: - 4939 | & natoms,oskel) - | ^ -Warning: 'k_xyz' may be used uninitialized [-Wmaybe-uninitialized] -hnd_gshift_zora.F:4881:25: + 633 | if(noff+n1 > nbf) call errquit (pname// + | ^ +Warning: 'noff' may be used uninitialized [-Wmaybe-uninitialized] +ibo_localization.F:66:33: - 4881 | & l_xyz,k_xyz ! dummy variables - | ^ -note: 'k_xyz' was declared here + 66 | integer n1, n2, nsing, noff + | ^ +note: 'noff' declared here task_raman.F:525:51: 487 | & rmmodes*4, rminfo(1,1))) @@ -90583,6 +90510,26 @@ 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)). +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 task_raman.F:1268:14: 718 | if (.not. rtdb_put(rtdb,'raman:aores1',mt_int, 1,ii)) call ! FA-06-18-12 @@ -90591,6 +90538,15 @@ 1268 | $ gamwidth_in)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). +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... raman.F:576:61: 375 | if (.not. rtdb_get(rtdb, 'raman:numpts ', mt_int,1 , numpts)) @@ -90607,6 +90563,7 @@ 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 prop_grid.F... Compiling prop_polfromsos.F... prop_grid.F:38:55: @@ -90711,24 +90668,6 @@ Compiling cosmo_charges.F... Compiling grad_hnd_cos.F... Compiling hnd_cosmo_lib.F... -Compiling hnd_coschg.F... -Compiling cosmo_thomson.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)). -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)). cosmo_input.F:181:51: 177 | $ rtdb_put(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) @@ -90737,14 +90676,16 @@ 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)). -cosmo_charges.F:102:55: +Compiling hnd_coschg.F... +cosmo_def_radii.F:271:52: - 83 | if(.not.rtdb_get(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) - | 2 + 265 | $ rtdb_get(rtdb,'cosmo:do_cosmo_smd',mt_log,1,do_cosmo_smd)) + | 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)). + 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_thomson.F... cosmo_initialize.F:165:34: 163 | call ga_brdcst(msg_cosmo0,nmap, @@ -90777,6 +90718,22 @@ 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) +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)). +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)). hnd_coschg.F:619:43: 611 | $ (rtdb,'cosmo:istep_cosmo_vem',mt_int,1,istep_cosmo_vem)) @@ -90825,6 +90782,16 @@ 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) +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 grad_hnd_cos.F:419:72: 419 | $ *cosff((rr-rin(iat1))/(rout(iat1)-rin(iat1)))) @@ -90845,16 +90812,6 @@ 129 | double precision dE, qfac, fact, dx, dy, dz, rr | ^ note: 'fact' was declared here -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 hnd_cosmo_lib.F:897:55: 894 | if(.not.rtdb_put(rtdb,'cosmo:nefc',mt_int,1 ,nefc)) @@ -90900,7 +90857,6 @@ Compiling nwpw_default.F... Compiling nwpw_vectors_input.F... Making all in nwpwlib -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib' nwpw_default.F:165:54: 151 | > frac_coord) @@ -90909,6 +90865,7 @@ 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)). +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib' nwpw_vectors_input.F:243:51: 139 | if (.not. rtdb_put(rtdb, swapname, mt_int, nswap,swap)) @@ -91565,70 +91522,6 @@ hilbert.c:162:9: note: 'direction' was declared here 162 | int direction,parent_direction, | ^~~~~~~~~ -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)). D3dBs-new.F:41:62: 18 | call Parallel_shared_vector_szero(.true.,n2ft3d_map(nb),A) @@ -91715,78 +91608,70 @@ 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)). -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: +D3dBs_pfft.F:972:24: - 2615 | call drfftf(nx,A(1,i),tmpx) + 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... - 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) + 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(8)/COMPLEX(8)). -D3dB_pfft.F:2615:31: +Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). +D3dBs_pfft.F:972:31: - 2615 | call drfftf(nx,A(1,i),tmpx) + 972 | call srfftf(nx,A(1,i),tmpx) | 1 ...... - 2693 | call drfftf(nx(id),tmp1(indx),dcpl_mb(tmpx(1,id))) + 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(8)/COMPLEX(8)). -D3dB_pfft.F:2953:27: +Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). +D3dBs_pfft.F:1257:27: - 2953 | call dcfftf(ny,A(1,i),tmpy) + 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... - 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) + 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(8)/COMPLEX(8)). -D3dB_pfft.F:2953:34: +Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). +D3dBs_pfft.F:1257:34: - 2953 | call dcfftf(ny,A(1,i),tmpy) + 1257 | call scfftf(ny,A(1,i),tmpy) | 1 ...... - 3070 | call dcfftf(nz(id),tmp1,dcpl_mb(tmpz(1,id))) + 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(8)/COMPLEX(8)). -D3dB_pfft.F:3468:27: +Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). +D3dBs_pfft.F:1694:27: - 3468 | call dcfftb(nz,A(1,i),tmpz) + 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... - 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) + 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(8)/COMPLEX(8)). -D3dB_pfft.F:3468:34: +Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). +D3dBs_pfft.F:1694:34: - 3468 | call dcfftb(nz,A(1,i),tmpz) + 1694 | call scfftb(nz,A(1,i),tmpz) | 1 ...... - 3584 | call dcfftb(ny(id),tmp1,dcpl_mb(tmpy(1,id))) + 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(8)/COMPLEX(8)). -D3dB_pfft.F:3828:24: +Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). +D3dBs_pfft.F:1987:24: - 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) + 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... - 3828 | call drfftb(nx,A(1,i),tmpx) + 1987 | call srfftb(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: +Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). +D3dBs_pfft.F:1987:31: - 3754 | call drfftb(nx(id),tmp2(indx),dcpl_mb(tmpx(1,id))) + 1928 | call srfftb(nx(id),tmp2(indx),scpl_mb(tmpx(1,id))) | 2 ...... - 3828 | call drfftb(nx,A(1,i),tmpx) + 1987 | call srfftb(nx,A(1,i),tmpx) | 1 -Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). +Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(4)/COMPLEX(4)). D3dB-new.F:1019:61: 993 | call Parallel_shared_vector_zero(.true.,n2ft3d_map(nb),A) @@ -91873,6 +91758,78 @@ 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)). +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)). D3dBs-mpi.F:663:24: 90 | > tmp1(int_mb(i1_start(1,nb)+1-1)), @@ -92751,11 +92708,11 @@ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/TMatrix' Compiling dgemm_omp.F... Compiling dgamm_omp.F... -Compiling saxpy_omp.F... Compiling daxpy_omp.F... +Compiling saxpy_omp.F... Compiling dscal_omp.F... -Compiling ffm_multiply_omp_group.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... @@ -93171,22 +93128,6 @@ Compiling c_G_init.F... Compiling strfac.F... Compiling cstrfac.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)). lattice.f:1160:19: 1029 | call ycopy(9,unitg,1,ub,1) @@ -93227,6 +93168,22 @@ 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) +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)). balance.F:483:24: 416 | > A(indx), @@ -93364,10 +93321,10 @@ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion/shake' Compiling center.f... -make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion/shake' Compiling ion_FixIon.F... Compiling incell1.f... Compiling incell2.f... +make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/ion/shake' Compiling incell3.f... Compiling unfold.f... Compiling xyz.F... @@ -93689,6 +93646,17 @@ carter_parse.c:74:12: warning: variable 'over_fourpi' set but not used [-Wunused-but-set-variable] 74 | double over_fourpi; | ^~~~~~~~~~~ +qmmm_parse.c: In function 'qmmm_parse_': +qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] + 93 | int argc; + | ^~~~ +qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] + 86 | double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; + | ^~~~~~~ +cpi_parse.c: In function 'cpi_parse_': +cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] + 99 | int argc,value; + | ^~~~ teter_parse.c: In function 'teter_parse_': teter_parse.c:101:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] 101 | int argc; @@ -93696,17 +93664,6 @@ teter_parse.c:90:14: warning: variable 'r0' set but not used [-Wunused-but-set-variable] 90 | double r0,xx; | ^~ -get_word.c: In function 'get_line': -get_word.c:33:8: warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] - 33 | if (c=='\n') - | ^ -get_word.c:28:11: note: 'c' was declared here - 28 | int c,i; - | ^ -cpi_parse.c: In function 'cpi_parse_': -cpi_parse.c:99:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] - 99 | int argc,value; - | ^~~~ In file included from pspsolve.c:19: rpspsolve.c: In function 'rpspsolve_': rpspsolve.c:84:9: warning: unused variable 'soutfile' [-Wunused-variable] @@ -93722,13 +93679,13 @@ 66 | int i, j, k, l, p, Nlinear, Nvalence; | ^ Compiling grids.c... -qmmm_parse.c: In function 'qmmm_parse_': -qmmm_parse.c:93:14: warning: variable 'argc' set but not used [-Wunused-but-set-variable] - 93 | int argc; - | ^~~~ -qmmm_parse.c:86:41: warning: unused variable 's_sigma' [-Wunused-variable] - 86 | double rc,rc1,rc2,rr1,rr2,ttt,sss,s_sigma; - | ^~~~~~~ +get_word.c: In function 'get_line': +get_word.c:33:8: warning: 'c' may be used uninitialized [-Wmaybe-uninitialized] + 33 | if (c=='\n') + | ^ +get_word.c:28:11: note: 'c' was declared here + 28 | int c,i; + | ^ grids.c: In function 'dealloc_Grid': grids.c:142:42: warning: format '%lx' expects argument of type 'long unsigned int', but argument 2 has type 'double *' [-Wformat=] 142 | printf(" address: %lx\n", grid); @@ -93744,6 +93701,7 @@ | long unsigned int Compiling atom.c... Compiling schrodin.c... +Compiling pauli.c... atom.c: In function 'solve_Atom': atom.c:314:22: warning: unused variable 'sz' [-Wunused-variable] 314 | int it, converged, sz; @@ -93756,8 +93714,12 @@ atom.c:640:10: warning: unused variable 'st' [-Wunused-variable] 640 | int i, st; | ^~ -Compiling pauli.c... Compiling dirac.c... +pauli.c: In function 'R_Pauli_Fixed_E': +pauli.c:365:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] + 365 | node, + | ^~~~ +Compiling zora.c... dirac.c: In function 'R_Dirac': dirac.c:43:9: warning: unused variable 'L0' [-Wunused-variable] 43 | L2, L0, @@ -93779,12 +93741,6 @@ dirac.c:449:32: warning: unused variable 'Ninf' [-Wunused-variable] 449 | int i, j, iteration, node, Ninf, Ngrid; | ^~~~ -Compiling zora.c... -pauli.c: In function 'R_Pauli_Fixed_E': -pauli.c:365:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] - 365 | node, - | ^~~~ -Compiling dft.c... zora.c: In function 'R_ZORA': zora.c:45:9: warning: unused variable 'L0' [-Wunused-variable] 45 | L2, L0, @@ -93793,14 +93749,14 @@ 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; | ^~ +Compiling dft.c... +Compiling hartree.c... dft.c: In function 'R_Screening_Cut': dft.c:140:13: warning: variable 'n0' set but not used [-Wunused-but-set-variable] 140 | int k,NN,n0,n1=0; | ^~ -Compiling hartree.c... Compiling dirac_exchange.c... Compiling perdew_wang.c... -Compiling perdew_zunger.c... dft.c:162:22: warning: 'r0' may be used uninitialized [-Wmaybe-uninitialized] 162 | m = (v1-v0)/(r1-r0); | ~~~^~~~ @@ -93820,6 +93776,7 @@ perdew_wang.c:45:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 45 | double onesixth; | ^~~~~~~~ +Compiling perdew_zunger.c... perdew_zunger.c: In function 'R_Perdew_Zunger': perdew_zunger.c:56:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 56 | double two_to_onethird; @@ -93830,8 +93787,17 @@ perdew_zunger.c:55:21: warning: variable 'fourthird' set but not used [-Wunused-but-set-variable] 55 | double onethird,fourthird,twothird; | ^~~~~~~~~ +schrodin.c: In function 'R_Schrodinger': +schrodin.c:249:5: warning: 'de' may be used uninitialized [-Wmaybe-uninitialized] + 249 | printf("R_Schrodinger: More than %d iterations, Eig=%le, de=%le\n",Max_Iterations,E,de); + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +schrodin.c:46:16: note: 'de' was declared here + 46 | double E, de, + | ^~ Compiling vosko.c... Compiling pbe_exchange.c... +Compiling pbe_correlation.c... +Compiling revpbe_exchange.c... vosko.c: In function 'R_Vosko': vosko.c:86:12: warning: variable 'two_to_onethird' set but not used [-Wunused-but-set-variable] 86 | double two_to_onethird; @@ -93846,9 +93812,6 @@ pbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ -Compiling pbe_correlation.c... -Compiling revpbe_exchange.c... -Compiling revpbe_correlation.c... pbe_correlation.c: In function 'R_PBE96_Correlation': pbe_correlation.c:50:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] 50 | double sevensixth; @@ -93856,18 +93819,12 @@ pbe_correlation.c:49:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] 49 | double onesixth; | ^~~~~~~~ -Compiling becke_exchange.c... -revpbe_correlation.c: In function 'R_revPBE_Correlation': -revpbe_correlation.c:52:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] - 52 | double sevensixth; - | ^~~~~~~~~~ -revpbe_correlation.c:51:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] - 51 | double onesixth; - | ^~~~~~~~ revpbe_exchange.c: In function 'R_revPBE_Exchange': revpbe_exchange.c:41:31: warning: variable 'twothird' set but not used [-Wunused-but-set-variable] 41 | double onethird,fourthird,twothird; | ^~~~~~~~ +Compiling revpbe_correlation.c... +Compiling becke_exchange.c... becke_exchange.c: In function 'R_Becke_Exchange': becke_exchange.c:61:13: warning: variable 'G2dr' set but not used [-Wunused-but-set-variable] 61 | double *G2dr; @@ -93902,8 +93859,14 @@ becke_exchange.c:35:12: warning: unused variable 'norm' [-Wunused-variable] 35 | double norm; | ^~~~ +revpbe_correlation.c: In function 'R_revPBE_Correlation': +revpbe_correlation.c:52:12: warning: variable 'sevensixth' set but not used [-Wunused-but-set-variable] + 52 | double sevensixth; + | ^~~~~~~~~~ +revpbe_correlation.c:51:12: warning: variable 'onesixth' set but not used [-Wunused-but-set-variable] + 51 | double onesixth; + | ^~~~~~~~ Compiling lyp_correlation.c... -Compiling hamann.c... lyp_correlation.c: In function 'R_LYP_Correlation': lyp_correlation.c:37:12: warning: unused variable 'norm' [-Wunused-variable] 37 | double norm; @@ -93911,32 +93874,19 @@ lyp_correlation.c:27:12: warning: variable 'smallnumber' set but not used [-Wunused-but-set-variable] 27 | double smallnumber; | ^~~~~~~~~~~ +Compiling hamann.c... Compiling troullier.c... -schrodin.c: In function 'R_Schrodinger': -schrodin.c:249:5: warning: 'de' may be used uninitialized [-Wmaybe-uninitialized] - 249 | printf("R_Schrodinger: More than %d iterations, Eig=%le, de=%le\n",Max_Iterations,E,de); - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -schrodin.c:46:16: note: 'de' was declared here - 46 | double E, de, - | ^~ troullier.c: In function 'solve_Troullier': troullier.c:191:20: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 191 | double al,amesh,rmax,Zion; | ^~~~~ Compiling xpansion.c... Compiling gaussj.c... +Compiling vanderbilt.c... pspsolve.c: In function 'pspsolve_': pspsolve.c:77:42: warning: 'psil_extra' may be used uninitialized [-Wmaybe-uninitialized] 77 | double *rl, *rhol, **psil_ae,**psil, **psil_extra, **pspl; | ^~~~~~~~~~ -hamann.c: In function 'solve_Hamann': -hamann.c:455:5: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] - 455 | R_Screening_Cut(Vc); - | ^~~~~~~~~~~~~~~~~~~ -hamann.c:209:23: note: 'w1l_prime' was declared here - 209 | double *w1l,*w1l_prime, - | ^~~~~~~~~ -Compiling vanderbilt.c... Compiling xpansion2.c... Compiling psp1d.c... vanderbilt.c: In function 'solve_Vanderbilt': @@ -93974,13 +93924,20 @@ | ^~~~ Compiling generate_rho_semicore.c... Compiling debug.c... +hamann.c: In function 'solve_Hamann': +hamann.c:455:5: warning: 'w1l_prime' may be used uninitialized [-Wmaybe-uninitialized] + 455 | R_Screening_Cut(Vc); + | ^~~~~~~~~~~~~~~~~~~ +hamann.c:209:23: note: 'w1l_prime' was declared here + 209 | double *w1l,*w1l_prime, + | ^~~~~~~~~ Compiling rhamann.c... +Compiling rtroullier.c... +Compiling rpsp.c... rhamann.c: In function 'Suggested_Param_RelHamann': rhamann.c:50:17: warning: unused variable 'itmp' [-Wunused-variable] 50 | int p, npsps, itmp; | ^~~~ -Compiling rtroullier.c... -Compiling rpsp.c... rtroullier.c: In function 'solve_RelTroullier': rtroullier.c:173:14: warning: variable 'amesh' set but not used [-Wunused-but-set-variable] 173 | double al, amesh, rmax, Zion; @@ -93995,7 +93952,6 @@ rpsp.c:73:10: warning: unused variable 'p1' [-Wunused-variable] 73 | int p, p1, p2; | ^~ -Making all in paw_atom rpsp.c: At top level: rpsp.c:53:23: warning: 'clocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; @@ -94003,6 +93959,7 @@ rpsp.c:53:15: warning: 'rlocal' defined but not used [-Wunused-variable] 53 | static double rlocal, clocal; | ^~~~~~ +Making all in paw_atom make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' xpansion.c: In function 'get_c0_c10': xpansion.c:341:28: warning: 'ddelta' may be used uninitialized [-Wmaybe-uninitialized] @@ -94028,58 +93985,16 @@ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/pseudopotential/paw_atom' Compiling paw_atom_driver.c... Compiling paw_atom.c... -Compiling paw_scattering.c... Compiling paw_basis.c... +Compiling paw_scattering.c... Compiling paw_schrodin.c... Compiling paw_pauli.c... Compiling paw_orbitals.c... -Compiling paw_potential.c... Compiling paw_kinetic_energy.c... +Compiling paw_potential.c... Compiling paw_dirac_exchange.c... Compiling paw_vosko.c... -paw_atom.c: In function 'paw_init_paw_atom': -paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] - 316 | double *rgrid; - | ^~~~~ Compiling paw_hartree.c... -paw_orbitals.c: In function 'paw_solve_scattering_orbitals': -paw_orbitals.c:453:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] - 453 | double *rgrid; - | ^~~~~ -paw_basis.c: In function 'paw_init_paw_basis': -paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] - 116 | double *rgrid; - | ^~~~~ -paw_pauli.c: In function 'paw_R_Pauli_Fixed_E': -paw_pauli.c:356:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] - 356 | node, - | ^~~~ -paw_basis.c: In function 'paw_generate_projectors_vanderbilt': -paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] - 645 | double max_phi; - | ^~~~~~~ -paw_basis.c: In function 'paw_generate_projectors_blochl': -paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] - 854 | double **test_matrix; - | ^~~~~~~~~~~ -paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] - 843 | double max_phi; - | ^~~~~~~ -paw_basis.c: In function 'paw_scattering_test': -paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] - 1453 | int Ngrid; - | ^~~~~ -paw_scattering.c: In function 'paw_solve_paw_scattering': -paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] - 110 | int Ngrid; - | ^~~~~ -paw_potential.c: In function 'paw_print_paw_potential_to_file': -paw_potential.c:649:9: warning: pointer 'fp' used after 'fclose' [-Wuse-after-free] - 649 | fclose(fp); - | ^~~~~~~~~~ -paw_potential.c:647:9: note: call to 'fclose' here - 647 | fclose(fp); - | ^~~~~~~~~~ paw_atom_driver.c: In function 'paw_atom_driver_': paw_atom_driver.c:116:11: warning: unused variable 'full_filename' [-Wunused-variable] 116 | char *full_filename = (char *) malloc(m9+25+5); @@ -94180,6 +94095,7 @@ 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_pauli.c: In function 'paw_R_Pauli_Fixed_E': 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, | ^~ @@ -94195,6 +94111,9 @@ paw_atom_driver.c:84:20: warning: unused variable 'nrl' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~ +paw_pauli.c:356:5: warning: variable 'node' set but not used [-Wunused-but-set-variable] + 356 | node, + | ^~~~ paw_atom_driver.c:84:14: warning: unused variable 'Ngrid' [-Wunused-variable] 84 | int Ngrid,nrl; | ^~~~~ @@ -94219,6 +94138,10 @@ paw_atom_driver.c:80:12: warning: unused variable 'over_fourpi' [-Wunused-variable] 80 | double over_fourpi; | ^~~~~~~~~~~ +paw_scattering.c: In function 'paw_solve_paw_scattering': +paw_scattering.c:110:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] + 110 | int Ngrid; + | ^~~~~ paw_atom_driver.c:79:20: warning: unused variable 'zion' [-Wunused-variable] 79 | double zatom,zion; /* local psp parameters */ | ^~~~ @@ -94234,11 +94157,51 @@ 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_basis.c: In function 'paw_init_paw_basis': +paw_basis.c:116:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] + 116 | double *rgrid; + | ^~~~~ +paw_basis.c: In function 'paw_generate_projectors_vanderbilt': +paw_basis.c:645:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] + 645 | double max_phi; + | ^~~~~~~ +paw_orbitals.c: In function 'paw_solve_scattering_orbitals': +paw_orbitals.c:453:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] + 453 | double *rgrid; + | ^~~~~ +paw_basis.c: In function 'paw_generate_projectors_blochl': +paw_basis.c:854:14: warning: variable 'test_matrix' set but not used [-Wunused-but-set-variable] + 854 | double **test_matrix; + | ^~~~~~~~~~~ +paw_basis.c:843:12: warning: variable 'max_phi' set but not used [-Wunused-but-set-variable] + 843 | double max_phi; + | ^~~~~~~ +paw_basis.c: In function 'paw_scattering_test': +paw_basis.c:1453:9: warning: variable 'Ngrid' set but not used [-Wunused-but-set-variable] + 1453 | int Ngrid; + | ^~~~~ +paw_atom.c: In function 'paw_init_paw_atom': +paw_potential.c: In function 'paw_print_paw_potential_to_file': +paw_potential.c:649:9: warning: pointer 'fp' used after 'fclose' [-Wuse-after-free] + 649 | fclose(fp); + | ^~~~~~~~~~ +paw_atom.c:316:13: warning: variable 'rgrid' set but not used [-Wunused-but-set-variable] + 316 | double *rgrid; + | ^~~~~ +paw_potential.c:647:9: note: call to 'fclose' here + 647 | fclose(fp); + | ^~~~~~~~~~ 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... paw_orbitals.c: In function 'paw_print_orbitals_to_file': paw_orbitals.c:683:26: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); @@ -94249,6 +94212,7 @@ paw_orbitals.c:683:9: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 683 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Compiling paw_output.c... paw_orbitals.c:691:30: warning: ' (' directive writing 2 bytes into a region of size between 1 and 20 [-Wformat-overflow=] 691 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~ @@ -94267,13 +94231,6 @@ paw_orbitals.c:729:13: note: 'sprintf' output between 7 and 340 bytes into a destination of size 20 729 | sprintf(title,"%s (%f)",nl_name,eigenvalue[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -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... Compiling paw_sdir.c... Compiling paw_my_memory.c... paw_output.c: In function 'paw_generate_basis_file': @@ -94323,11 +94280,11 @@ Making all in paw_utilities make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' +make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_filefind.F... Compiling nwpw_scratch.F... Compiling nwpw_list.F... Compiling nwpw_scf_mixing.F... -make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/nwpwlib/utilities/paw_utilities' Compiling nwpw_spline.F... Compiling nwpw_interp.F... Compiling kerker_G.F... @@ -94335,6 +94292,7 @@ Compiling nwpw_rdf.F... Compiling pair_dist.F... Compiling pair_dist2.F... +Compiling pair_distab.F... cpmd_properties.F:163:36: 31 | if (.not.btdb_get(rtdb,'nwpw:cpmd_properties',mt_log,1,doit)) @@ -94343,7 +94301,7 @@ 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 pair_distab.F... +Compiling auto_corr.F... pair_distab.F:61:43: 60 | call Parallel_Brdcst_values(MASTER,1,volume) @@ -94351,7 +94309,6 @@ 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... @@ -94382,7 +94339,6 @@ Compiling nwpw_matrix_invert.F... Compiling analysis_expansion_coef.F... Compiling nwpw_double_factorial.F... -Compiling nwpw_kbpp_ray.F... analysis_expansion_coef.F:70:49: 65 | if (.not. btdb_put(rtdb,id,mt_int,1,lorb)) @@ -94391,17 +94347,12 @@ 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_kbpp_ray.F... Compiling nwpw_talker.c... Compiling nwpw_expression.F... Compiling nwpw_emachine.c... Compiling BA_memory.F... -nwpw_emachine.c: In function 'nwpw_gencode': -nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] - 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; - | ^~~~~ -nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] - 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; - | ^~~~ +Compiling btdb.F... nwpw_talker.c: In function 'nwpw_talker_': nwpw_talker.c:62:19: warning: unused variable 'valread' [-Wunused-variable] 62 | int sock = 0, valread; @@ -94410,19 +94361,6 @@ nwpw_talker.c:250:19: warning: variable 'valread' set but not used [-Wunused-but-set-variable] 250 | int sock = 0, valread; | ^~~~~~~ -nwpw_emachine.c: In function 'nwpw_emachine': -nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] - 482 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; - | ^~~~ -nwpw_emachine.c: In function 'nwpw_fmachine': -nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] - 673 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; - | ^~~~ -nwpw_emachine.c: In function 'nwpw_emachine_parse_': -nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] - 971 | int i; - | ^ -Compiling btdb.F... nwpw_expression.F:79:60: 67 | value = btdb_put(rtdb,rtdb_name,mt_int,1,nemach) @@ -94449,8 +94387,27 @@ Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). Compiling beom.F... Compiling task_paulsmatrix.F... +nwpw_emachine.c: In function 'nwpw_gencode': +nwpw_emachine.c:188:40: warning: unused variable 'tmpss' [-Wunused-variable] + 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; + | ^~~~~ +nwpw_emachine.c:188:31: warning: unused variable 'tmps' [-Wunused-variable] + 188 | char lexpr[500],rexpr[500],tmps[10],tmpss[10]; + | ^~~~ +nwpw_emachine.c: In function 'nwpw_emachine': +nwpw_emachine.c:482:30: warning: unused variable 'arg4' [-Wunused-variable] + 482 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; + | ^~~~ Compiling nwpw_cosmo.F... +nwpw_emachine.c: In function 'nwpw_fmachine': +nwpw_emachine.c:673:30: warning: unused variable 'arg4' [-Wunused-variable] + 673 | Integer op,arg1,arg2,arg3,arg4,ln1,ln2; + | ^~~~ +nwpw_emachine.c: In function 'nwpw_emachine_parse_': Compiling nwpw_born.F... +nwpw_emachine.c:971:8: warning: unused variable 'i' [-Wunused-variable] + 971 | int i; + | ^ Compiling nwpw_cdft.F... Compiling nwpw_fftpack3d.F... nwpw_cdft.F:65:32: @@ -96275,12 +96232,12 @@ Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling nwpwxc_eval.F... Compiling nwpwxc_x_att.F... -Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_bnl.F... +Compiling nwpwxc_x_b88.F... Compiling nwpwxc_x_camb88.F... Compiling nwpwxc_x_camlsd.F... -Compiling nwpwxc_x_campbe.F... Compiling nwpwxc_x_cams12.F... +Compiling nwpwxc_x_campbe.F... Compiling nwpwxc_x_dirac.F... Compiling nwpwxc_x_gill.F... Compiling nwpwxc_x_hse08.F... @@ -96315,6 +96272,7 @@ Compiling nwpwxc_c_vs98.F... Compiling nwpwxc_c_lsda.F... Compiling nwpwxc_c_vwn1.F... +Compiling nwpwxc_c_vwn1_rpa.F... nwpwxc_c_tpss03.F:463:72: 463 | en = pbe*(1.d0 + ccc*xx2) @@ -96325,7 +96283,6 @@ 104 | double precision zeta, ccc | ^ note: 'ccc' was declared here -Compiling nwpwxc_c_vwn1_rpa.F... Compiling nwpwxc_c_vwn2.F... Compiling nwpwxc_c_vwn3.F... Compiling nwpwxc_c_vwn4.F... @@ -96431,13 +96388,13 @@ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) Compiling nwpwxc_c_spbe.F... -Compiling nwpwxc_x_ssbD_1.F... -Compiling nwpwxc_c_perdew81.F... nwpwxc_vdw3b.F:1337:6: 1337 | FUNCTION nwpwxc_READAA(A,ISTART,IEND,IEND2) | ^ Warning: '__result_nwpwxc_readaa' is used uninitialized [-Wuninitialized] +Compiling nwpwxc_x_ssbD_1.F... +Compiling nwpwxc_c_perdew81.F... nwpwxcP_xc_b97.c:642:13: warning: 'Gec_b0_rb' may be used uninitialized [-Wmaybe-uninitialized] 642 | Gec_ab_rb = Gec_ab_rb - Gec_b0_rb; | ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~ @@ -96658,8 +96615,8 @@ Compiling dipole.F... Compiling dipole_efield.F... Compiling orthocheck.f... -Compiling psi.F... Compiling psi_spin2.F... +Compiling psi.F... Compiling geodesic.F... Compiling geodesic2.F... Compiling Grassman.F... @@ -96667,22 +96624,6 @@ Compiling psi_read.F... Compiling psi_write.F... Compiling rho_write.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)). psi_dmatrix.F:338:20: 222 | call ycopy(n2ft3d*neall,psi_r,1,psi_r2,1) @@ -96699,76 +96640,22 @@ 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) -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) -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: +Grassman.F:805:21: - 104 | call iwrite(6,version,1) - | 2 + 142 | call ycopy(2*n*nfft3d,A,1,C,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: + 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: - 104 | call iwrite(6,version,1) - | 2 + 142 | call ycopy(2*n*nfft3d,A,1,C,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) + 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)). psi_read.F:93:25: 92 | call iread(5,version,1) @@ -96896,22 +96783,77 @@ 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 rho_read.F... -rho_read.F:82:25: +psi_write.F:105:26: - 81 | call iread(5,version,1) - | 2 - 82 | call iread(5,nfft,3) - | 1 + 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) -rho_read.F:104:56: +psi_write.F:108:26: - 95 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,n) - | 2 + 104 | call iwrite(6,version,1) + | 2 ...... - 104 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,nfft) - | 1 + 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) +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... Compiling v_psi_read.F... Compiling v_psi_write.F... v_psi_read.F:89:22: @@ -96921,6 +96863,13 @@ 89 | 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: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) v_psi_read.F:92:22: 88 | call iread(5,version,1) @@ -96929,6 +96878,14 @@ 92 | call iread(5,ne,2) | 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) v_psi_read.F:100:56: 98 | call Parallela_Brdcst_ivalues(com_p,MASTER,msglen,version) @@ -96961,7 +96918,6 @@ | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling psi_new.F... -Compiling v_psi_new.F... psi_new.F:138:42: 134 | > 'nwpw:lcao_iterations',mt_int,1,lcao_iterations)) @@ -96970,8 +96926,12 @@ 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... +Compiling psi_read_filename.F... +Compiling polarizability.F... +Compiling berry_phase_pol.F... psi_write_filename.F:92:26: 91 | call iwrite(6,version,1) @@ -96987,6 +96947,7 @@ 95 | 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_symmetrizer.F... psi_write_filename.F:243:26: 91 | call iwrite(6,version,1) @@ -97003,9 +96964,6 @@ 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... -Compiling polarizability.F... -Compiling berry_phase_pol.F... psi_read_filename.F:76:22: 75 | call iread(5,version,1) @@ -97069,7 +97027,6 @@ 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 rho_symmetrizer.F... psi.F:5852:40: 5606 | > rho,dbl_mb(rho_ptr)) @@ -97605,16 +97562,15 @@ make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/coulomb' Making all in exchange-correlation make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation' -make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Making all in vdw-DF +make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling v_bwexc_all.F... -Compiling v_exc.F... -make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' Compiling v_dirac.F... -Compiling v_bwexc_euv.F... +Compiling v_exc.F... Compiling v_mexc.F... Compiling v_bwexc.F... +Compiling v_bwexc_euv.F... Compiling nwpw_meta_gga.F... Compiling pbe96.f... Compiling pbesol.f... @@ -97636,11 +97592,53 @@ 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)). +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 +Compiling b3lyp.F... +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: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.F:82:72: 82 | rhog(1) = fn(1) | ^ Warning: 'fn' may be used uninitialized [-Wmaybe-uninitialized] +Compiling bnl2007_x.F... v_bwexc.F:36:26: 36 | integer agr(3),fn(2),fdn(3),tmp(2),rhog(2) @@ -97736,7 +97734,8 @@ 42 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here -Compiling b3lyp.F... +Compiling hsepbe.F... +Compiling beef_gga.f... v_mexc.F:387:72: 387 | fdn(1) = xfdn(1) @@ -97757,49 +97756,6 @@ 41 | integer xagr(2),xfn(2),xfdn(2) | ^ note: 'xfdn' declared here -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: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: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 -Compiling bnl2007_x.F... -Compiling hsepbe.F... -Compiling beef_gga.f... Compiling pw92c.f... Compiling vs98.f... Compiling tpss03.f... @@ -97810,6 +97766,7 @@ Compiling pbe96c.f... Compiling m06.f... Compiling m06-l.f... +make[8]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation/vdw-DF' make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/lib/exchange-correlation' Compiling vdw-DF.F... Compiling vdw_DF_kernel.F... @@ -98171,26 +98128,6 @@ 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)). -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_olddebug.F:227:72: 227 | > dbl_mb(sum(1)+3*(n-1))) @@ -98221,6 +98158,26 @@ 35 | integer G(3),npack1,nion,nu | ^ note: 'g[2]' was 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: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 paw.F:379:72: 379 | > dbl_mb(psp_fmm_Mlm(1)),1) @@ -98813,11 +98770,6 @@ 1120 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here -paw.F:3420:23: - - 3420 | real*8 wij,taunt - | ^ -Warning: 'taunt' may be used uninitialized [-Wmaybe-uninitialized] psp.F:2033:72: 2033 | > dbl_mb(xtmp(1)),fion(1,ii)) @@ -98848,6 +98800,11 @@ 1921 | integer exi(2),vtmp(2),xtmp(2),G(3) | ^ note: 'g[2]' was declared here +paw.F:3420:23: + + 3420 | real*8 wij,taunt + | ^ +Warning: 'taunt' may be used uninitialized [-Wmaybe-uninitialized] psp.F:3537:72: 3537 | > dbl_mb(sum(1))) @@ -98895,6 +98852,46 @@ Compiling pspw_lmbfgs3.F... Compiling pspw_diis.F... Compiling pspw_rmmdiis.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)). pspw_diis.F:78:26: 25 | call ycopy(max_list*max_list,0.0d0,0,B,1) @@ -98927,22 +98924,6 @@ 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_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_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_lmbfgs.F:111:25: 99 | > dbl_mb(ss(1)), @@ -98951,14 +98932,6 @@ 111 | > s, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(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)). pspw_lmbfgs.F:116:39: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) @@ -98967,14 +98940,6 @@ 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_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_lmbfgs.F:116:55: 90 | call DAXPY_OMP(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) @@ -98983,29 +98948,21 @@ 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)). -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: +pspw_lmbfgs3.F:80:40: - 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) - | 2 + 26 | call pspw_Grsm_list_store(2*m-1,g) + | 2 ...... - 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) - | 1 + 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_lmbfgs2.F:102:51: +pspw_lmbfgs3.F:93:25: - 82 | call yaxpy(ngras,(-1.0d0),g,1,dbl_mb(yy(1)),1) - | 2 + 86 | > dbl_mb(ss(1)), + | 2 ...... - 102 | call yaxpy(ngras,(-alpha(m)),dbl_mb(yy(1)),1,s,1) - | 1 + 93 | > s, + | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). pspw_rmmdiis.F:144:41: @@ -99140,6 +99097,7 @@ Compiling kbppv3.F... Compiling kbppv3-stress.F... Compiling setup_kbpp.f... +Compiling kbpp_ray.F... psp_formatter_input.F:238:36: 192 | > mt_int,1,kbpp_number)) @@ -99148,7 +99106,22 @@ 238 | > mt_dbl,1,rlocal)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). -Compiling kbpp_ray.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) hghppv1.F:121:27: 116 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) @@ -99165,6 +99138,14 @@ 359 | 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: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) hghppv1.F:362:23: 360 | call dwrite(2,unita,9) @@ -99197,30 +99178,6 @@ 382 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) -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) -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) @@ -99317,6 +99274,45 @@ 471 | call dwrite(2,zion,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) +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) +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) kbppv3.F:110:48: 102 | call Parallel_Brdcst_values(MASTER,msglen,zv) @@ -99365,45 +99361,6 @@ 393 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) -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) -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 integrate_kbppv3.f... Compiling integrate_kbppv3_new.f... Compiling integrate_kbppv3_ray.f... @@ -99447,7 +99404,6 @@ Compiling integrate_pawppv1.F... Compiling integrate_paw_ray.F... Compiling kbppv3d.F... -Compiling kbppv3d_stress.F... kbppv3d.F:431:23: 429 | call iwrite(2,psp_type,1) @@ -99488,6 +99444,8 @@ 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... +Compiling integrate_kbppv3d.f... kbppv3d_stress.F:102:27: 100 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) @@ -99511,11 +99469,12 @@ 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... +Compiling kbppv3e_stress.F... +Compiling integrate_kbppv3e.f... kbppv3e.F:124:48: 115 | call Parallel_Brdcst_values(MASTER,msglen,zv) @@ -99524,6 +99483,14 @@ 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_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.F:125:49: 118 | call Parallel_Brdcst_ivalues(MASTER,msglen,lmax0) @@ -99532,6 +99499,14 @@ 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_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.F:405:23: 403 | call iwrite(2,psp_type,1) @@ -99540,6 +99515,13 @@ 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_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) kbppv3e.F:408:23: 406 | call dwrite(2,unita,9) @@ -99572,31 +99554,7 @@ 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... kbppv3d.F:297:72: 297 | > ierr) @@ -99657,7 +99615,6 @@ 39 | integer rho_indx,vp_indx,wp_indx,up_indx,sc_r_indx,sc_k_indx | ^ note: 'sc_r_indx' declared here -Compiling integrate_kbppv3e_new.f... Compiling integrate_kbppv3e_ray.f... Compiling integrate_e_stress.F... Compiling integrate_e_stress_new.F... @@ -99679,198 +99636,58 @@ Compiling wvfnc_expander_input.F... Compiling wvfnc_expander.F... Compiling wvfnc_reformat.F... -Compiling wvfnc_adjust.F... Compiling wvfnc_ionize.F... +Compiling wvfnc_adjust.F... Compiling wvfnc_convert_restricted.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)). -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) -wvfnc_adjust.F:163:19: +Compiling v_wvfnc_init_input.F... +Compiling v_wvfnc_init.F... +Compiling v_wvfnc_new.F... +wvfnc_ionize.F:84:19: - 162 | call iread(5,version,1) + 83 | call iread(5,version,1) | 2 - 163 | call iread(5,ngrid,3) + 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_adjust.F:166:19: +wvfnc_ionize.F:87:19: - 162 | call iread(5,version,1) + 83 | call iread(5,version,1) | 2 ...... - 166 | call iread(5,ne0,2) + 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_adjust.F:172:20: +wvfnc_ionize.F:102:20: - 171 | call iwrite(6,version,1) + 101 | call iwrite(6,version,1) | 2 - 172 | call iwrite(6,ngrid,3) + 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_adjust.F:175:20: +wvfnc_ionize.F:105:20: - 171 | call iwrite(6,version,1) + 101 | call iwrite(6,version,1) | 2 ...... - 175 | call iwrite(6,ne,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_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: +wvfnc_ionize.F:128:23: - 164 | call dread(5,unita,9) - | 2 + 85 | call dread(5,unita,9) + | 2 ...... - 240 | call dread(5,dcpl_mb(cfull_indx),n2ft3d) - | 1 + 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_adjust.F:300:26: +wvfnc_ionize.F:134:26: - 173 | call dwrite(6,unita,9) + 103 | call dwrite(6,unita,9) | 2 ...... - 300 | call dwrite(6,dcpl_mb(cfull_indx),n2ft3d) + 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)). -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 v_wvfnc_init_input.F... wvfnc_init_input.F:244:43: 234 | > mt_int,1,nup)) @@ -99895,15 +99712,6 @@ 254 | > 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... -Compiling v_wvfnc_new.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_expander.F:63:19: 62 | call iread(5,version,1) @@ -99919,6 +99727,51 @@ 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)). +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_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_convert_restricted.F:63:19: 59 | call iread(5,version,1) @@ -99927,11 +99780,12 @@ 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_expander.F:76:20: +wvfnc_new.F:172:20: - 75 | call iwrite(6,version,1) + 168 | call iwrite(6,version,1) | 2 - 76 | call iwrite(6,dngrid,3) +...... + 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_convert_restricted.F:78:20: @@ -99941,14 +99795,22 @@ 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_expander.F:79:20: +wvfnc_new.F:199:26: - 75 | call iwrite(6,version,1) - | 2 + 170 | call dwrite(6,unita,9) + | 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) + 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_convert_restricted.F:81:20: 77 | call iwrite(6,version,1) @@ -99957,14 +99819,6 @@ 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_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_convert_restricted.F:102:23: 61 | call dread(5,unita,9) @@ -99973,14 +99827,6 @@ 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_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)). wvfnc_convert_restricted.F:105:24: 79 | call dwrite(6,unita,9) @@ -100005,6 +99851,45 @@ 118 | call iread(5,ne,2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) +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) +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)). wvfnc_reformat.F:67:19: 66 | call iread(5,version,1) @@ -100051,75 +99936,116 @@ 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)). -wvfnc_ionize.F:84:19: +wvfnc_adjust.F:163:19: - 83 | call iread(5,version,1) + 162 | call iread(5,version,1) | 2 - 84 | call iread(5,ngrid,3) + 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_ionize.F:87:19: +wvfnc_adjust.F:166:19: - 83 | call iread(5,version,1) + 162 | call iread(5,version,1) | 2 ...... - 87 | call iread(5,ne,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_ionize.F:102:20: +wvfnc_adjust.F:172:20: - 101 | call iwrite(6,version,1) + 171 | call iwrite(6,version,1) | 2 - 102 | call iwrite(6,ngrid,3) + 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_ionize.F:105:20: +wvfnc_adjust.F:175:20: - 101 | call iwrite(6,version,1) + 171 | call iwrite(6,version,1) | 2 ...... - 105 | call iwrite(6,nne,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_ionize.F:128:23: +wvfnc_adjust.F:220:22: - 85 | call dread(5,unita,9) - | 2 + 162 | call iread(5,version,1) + | 2 ...... - 128 | call dread(5,dcpl_mb(cfull(1)),n2ft3d) - | 1 + 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_ionize.F:134:26: +wvfnc_adjust.F:300:26: - 103 | call dwrite(6,unita,9) + 173 | call dwrite(6,unita,9) | 2 ...... - 134 | call dwrite(6,dcpl_mb(cfull(1)),n2ft3d) + 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)). -v_wvfnc_new.F:60:20: +wvfnc_adjust.F:314:25: - 59 | call iwrite(6,version,1) - | 2 - 60 | call iwrite(6,ngrid,3) - | 1 + 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) -v_wvfnc_new.F:63:20: +wvfnc_adjust.F:317:25: - 59 | call iwrite(6,version,1) - | 2 + 162 | call iread(5,version,1) + | 2 ...... - 63 | call iwrite(6,ne,2) - | 1 + 317 | call iread(5,ne0,2) + | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -v_wvfnc_new.F:73:22: +wvfnc_adjust.F:336:28: - 61 | call dwrite(6,unita,9) - | 2 + 162 | call iread(5,version,1) + | 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)). + 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) v_wvfnc_init_input.F:154:35: 144 | > mt_int,1,nup)) @@ -100128,7 +100054,37 @@ 154 | > mt_log,1,restricted)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). -Compiling pspw_wannier_input.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)). v_wvfnc_init.F:46:59: 43 | value = btdb_get(rtdb,'v_wvfnc:nup', mt_int,1,ne(1)) @@ -100160,6 +100116,8 @@ 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 pspw_wannier_input.F... +Compiling pspw_wannier.F... pspw_wannier_input.F:104:60: 95 | if (.not.rtdb_put(rtdb,'wannier:maxiter',mt_int,1,it)) @@ -100168,12 +100126,13 @@ 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... Compiling silvestrelli_minimize.F... Compiling pspw_wannier_old.F... Compiling silvestrelli_overlap_old.F... Compiling silvestrelli_minimize_old.F... +Compiling pspw_wannier2.F... +Compiling pspw_translate.F... silvestrelli_overlap.F:60:72: 60 | psis = rgrid(1) + n2ft3d @@ -100184,21 +100143,6 @@ 41 | integer rgrid(2),Tc(2),Ts(2),psic,psis,Wc(2),Ws(2) | ^ note: 'rgrid' declared here -Compiling pspw_wannier2.F... -Compiling pspw_translate.F... -Compiling expand_cell.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 wvfnc_expand_cell.F... -Compiling band_reformat_c_wvfnc.F... pspw_wannier2.F:236:28: 221 | call Pack_c_Copy(1,dcpl_mb(psi(1) +(n-1)*npack1), @@ -100215,6 +100159,18 @@ 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)). +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 expand_cell.F... +Compiling wvfnc_expand_cell.F... silvestrelli_overlap.F:187:72: 187 | psis = rgrid(1) + n2ft3d @@ -100233,7 +100189,6 @@ 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 makenodefunctions.F... wvfnc_expand_cell.F:61:19: 60 | call iread(5,version,1) @@ -100280,6 +100235,8 @@ 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... +Compiling makenodefunctions.F... makenodefunctions.F:113:72: 113 | call psi_derivative_f(itype,gx,gy,gz,psir) @@ -100429,12 +100386,12 @@ Compiling mmsdv1.F... Compiling inner_loop_md.F... Compiling mm_loop.F... -Compiling psi_lmbda.f... cpsdv5.F:790:2: 790 | #warning backspace | 1~~~~~~ Warning: #warning backspace [-Wcpp] +Compiling psi_lmbda.f... Compiling psi_lmbda_sic.f... Compiling psi_lmbda_paw.f... cpsd_input.F:136:54: @@ -100447,6 +100404,14 @@ Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling psi_lmbda2.f... Compiling psi_lmbda3.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)). inner_loop_md.F:465:27: 444 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) @@ -100463,14 +100428,6 @@ 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)). -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)). psi_lmbda3.f:179:20: 126 | > tmp(s21),n, @@ -100487,6 +100444,9 @@ 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... cpmdv5.F:354:50: 230 | call ycopy(60,0.0d0,0,E,1) @@ -100503,10 +100463,23 @@ 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 psi_lmbda_omp.F... -Compiling fei_output.F... -Compiling dipole_motion.F... Compiling pspw_et.F... +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 runsocket.F... Compiling inner_loop.F... runsocket.F:100:42: @@ -100525,14 +100498,6 @@ 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(*)). -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)). inner_loop.F:477:27: 451 | call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho(1))) @@ -100549,21 +100514,13 @@ 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)). -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: +pspw_et.F:1594:41: - 230 | call ycopy(60,0.0d0,0,E,1) - | 2 + 1500 | call ycopy(n2ft3d,0.0d0,0,rho,1) + | 2 ...... - 996 | > dcpl_mb(psi2(1)),1) - | 1 + 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)). make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/cpsd' @@ -100585,6 +100542,7 @@ Compiling cgsdv5.F... Compiling cgmontecarlov1.F... Compiling cgoptimize1.F... +Compiling cgmdv5.F... pspw_energy.F:65:51: 49 | > runme)) @@ -100601,9 +100559,8 @@ 114 | > .false.)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). -Compiling cgmdv5.F... -Compiling mmmdv1.F... Compiling cgsd_noit_energy.F... +Compiling mmmdv1.F... cgsd_input.F:445:54: 437 | > frac_coord) @@ -100612,6 +100569,7 @@ 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 cgsd_energy.F... cgsdv5.F:709:25: 706 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) @@ -100644,8 +100602,23 @@ 727 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -Compiling cgsd_energy.F... Compiling cgsd_excited.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) cgoptimize1.F:716:25: 713 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) @@ -100678,6 +100651,14 @@ 732 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) +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) cgmdv5.F:1079:25: 1076 | value = btdb_put(rtdb,'pspw:energy',mt_dbl,1,EV) @@ -100710,56 +100691,7 @@ 1095 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -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_oep_eigenvalues.F... -Compiling cgminimize.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) cgmontecarlov1.F:769:27: 197 | call ycopy(30,0.0d0,0,E,1) @@ -100800,6 +100732,31 @@ 1072 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) +Compiling cgminimize.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 cgminimize2.F... Compiling cgminimizeABC.F... Compiling bfgsminimize.F... @@ -100810,7 +100767,6 @@ Compiling bybminimize.F... Compiling bybminimize2.F... Compiling sdminimize.F... -Compiling nominimize.F... bybminimize.F:270:72: 270 | deltae = Enew-Eold @@ -100821,8 +100777,20 @@ 45 | real*8 Enew,Eold,alpha | ^ note: 'enew' was declared here +Compiling nominimize.F... +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 md_energy.F... Compiling kp_structure.F... +Compiling pspw_director.F... cgoptimize1.F:429:13: 429 | if (opt_algorithm.eq.0) then @@ -100833,7 +100801,6 @@ 75 | integer opt_algorithm | ^ note: 'opt_algorithm' was declared here -Compiling pspw_director.F... pspw_director.F:215:34: 215 | common /pspw_director_lines/ lines,nlines @@ -100854,16 +100821,6 @@ 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] -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 kp_structure.F:28:33: 28 | real*8 ks(3),kv(3),kold(3),dk(3),dk2,pathlength,dist,e1,e2,EV @@ -100903,10 +100860,10 @@ Making all in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis/APC' -make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis/APC' Compiling analysis_input.F... Compiling analysis.F... Compiling orb_pop.F... +make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/analysis/APC' Compiling orb_pop_kawai.F... Compiling orb_pop_aorb.F... Compiling orb.F... @@ -101055,16 +101012,6 @@ 48 | > mt_dbl,6,lattice_tolerances) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). -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 stress_fd.F:131:53: 120 | > mt_log,1,lstress_numerical)) @@ -101121,6 +101068,16 @@ 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) +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 force_fd.F:47:72: 47 | > BA_alloc_get(mt_dbl,(3*nion),'r1',r1(2),r1(1)) @@ -101154,11 +101111,11 @@ Making all in pspw_LJ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' -make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' Compiling pspw_qmmm_input.F... Compiling pspw_qmmm.F... Compiling pspw_2qmmm.F... Compiling pspw_springs.F... +make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' pspw_qmmm_input.F:170:47: 139 | value = value.and.rtdb_put(rtdb,rtdb_name,mt_dbl,2,se) @@ -101260,13 +101217,13 @@ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a pspw_LJ.o +make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm' echo /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpspw.a make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_LJ' Making all in pspw_Q make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' -make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' Compiling pspw_Q.F... make[7]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/pspw/qmmm/pspw_Q' @@ -101507,11 +101464,18 @@ Compiling lcao_generate_kematrix.F... Compiling lcao_generate_vlmatrix.F... Compiling lcao_generate_vnlmatrix.F... -Compiling lcao_init_dn.F... Compiling lcao_generate_vhxcmatrix.F... +Compiling lcao_init_dn.F... Compiling lcao_new_dn.F... Compiling lcao_make_psi.F... -Compiling lcao_write_psi.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)). lcao_generate_vlmatrix.F:98:30: 75 | call Pack_c_unpack(0,dcpl_mb(vl(1))) @@ -101560,14 +101524,7 @@ 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)). -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_psi.F... lcao_generate_vlmatrix.F:40:72: 40 | vpsi = vlr_l(1) @@ -102005,8 +101962,8 @@ Making all in paw_ion_potential make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ion_potential' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ion_potential' -Compiling paw_matrix_ion.F... Compiling paw_energy_ion_atom.F... +Compiling paw_matrix_ion.F... f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory '../include/' [-Wmissing-include-dirs] make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_ion_potential' @@ -102318,8 +102275,8 @@ Making all in paw_Grsm_list make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_Grsm_list' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/paw_Grsm_list' -Compiling paw_lmbfgs.F... Compiling paw_Grsm_list.F... +Compiling paw_lmbfgs.F... paw_lmbfgs.F:80:32: 59 | call yscal(ngras,(-1.0d0),g,1) @@ -102798,9 +102755,9 @@ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/paw/cgsd' Compiling paw_energy.F... Compiling paw_noit_energy.F... -Compiling paw_minimizer.F... Compiling paw_gradient.F... Compiling paw_stress.F... +Compiling paw_minimizer.F... Compiling paw_cgsd_energy.F... Compiling paw_cgminimize.F... Compiling paw_bfgsminimize.F... @@ -102848,6 +102805,22 @@ Compiling paw_stress_fd.F... Compiling paw_cell_optimize.F... Compiling paw_update_unitcell.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)). paw_stress_fd.F:91:53: 79 | > mt_log,1,lstress_numerical)) @@ -102904,22 +102877,6 @@ 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) -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)). paw_update_unitcell.F:31:72: 31 | call load_cellgeometry(geom,dbl_mb(r1(1)),unita) @@ -102959,11 +102916,11 @@ 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)). +make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/minimizer' Compiling task_band.F... Compiling band_energy.F... Compiling band_noit_energy.F... Compiling band_gradient.F... -make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/minimizer' Compiling band_stress.F... band_energy.F:69:51: @@ -102993,6 +102950,7 @@ Compiling c_cgminimizeABC.F... Compiling c_bfgsminimize.F... Compiling c_bfgsminimizeABC.F... +Compiling c_bybminimize0.F... c_cgsd_energy_stress.F:64:19: 38 | call ycopy(9,0.0d0,0,stress,1) @@ -103001,8 +102959,6 @@ 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_bybminimize0.F... -Compiling c_bybminimize.F... band_minimizer.F:648:25: 645 | value = btdb_put(rtdb,'band:energy',mt_dbl,1,EV) @@ -103027,7 +102983,10 @@ 661 | > 6,lstress) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) +Compiling c_bybminimize.F... Compiling c_bybminimize2.F... +Compiling c_sdminimize.F... +Compiling c_nominimize.F... c_bybminimize2.F:318:20: 283 | > dbl_mb(rho_in(1)),1, @@ -103044,8 +103003,6 @@ 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... band_minimizer.F:652:72: 652 | > 3*nion,dbl_mb(fion(1))) @@ -103139,8 +103096,8 @@ Making all in cpsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cpsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/cpsd' -Compiling band_cpmd.F... Compiling band_sd.F... +Compiling band_cpmd.F... Compiling band_inner_loop.F... Compiling band_inner_loop_md.F... band_inner_loop.F:389:72: @@ -103367,15 +103324,49 @@ Making all in kbpp make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/kbpp' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/kbpp' -Compiling borbs_formatter.F... Compiling cpsp_formatter_auto.F... +Compiling borbs_formatter.F... Compiling kbpp_band.F... Compiling kbpp_band_orb.F... Compiling setup_kbpp_band.f... -Compiling integrate_kbpp_band_nonlocal.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... +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) kbpp_band.F:113:27: 112 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) @@ -103415,42 +103406,9 @@ 388 | call dwrite(2,rcore,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) -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 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... +Compiling integrate_kbpp_band_stress_local.F... kbpp_band_stress.F:106:27: 104 | call BRDCST(9+MSGDBL,zv,mdtob(msglen),MASTER) @@ -103474,7 +103432,6 @@ 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... @@ -103485,7 +103442,6 @@ Compiling Spherical_band.F... Compiling hghpp_band.F... Compiling rkbpp_band.F... -Compiling kbpp_e_band.F... hghpp_band.F:123:27: 118 | call BRDCST(9+MSGINT,psp_type,mitob(msglen),MASTER) @@ -103534,54 +103490,7 @@ 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)). -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 kbpp_e_band.F... Compiling integrate_kbpp_e_band_nonlocal.F... Compiling integrate_kbpp_e_band_nonlocal_new.F... rkbpp_band.F:581:32: @@ -103647,9 +103556,58 @@ 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)). +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_local.F... Compiling integrate_kbpp_e_band_local_new.F... Compiling integrate_kbpp_e_band_ray.F... +Compiling kbpp_e_band_stress.F... rkbpp_band.F:854:72: 854 | return @@ -103660,7 +103618,6 @@ 791 | real*8 function sjx(x,l,cosx,sinx) | ^ note: '__result_sjx' was declared here -Compiling kbpp_e_band_stress.F... Compiling integrate_kbpp_e_band_stress_local.F... kbpp_e_band_stress.F:117:48: @@ -103712,8 +103669,8 @@ make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/makepsi' Compiling c_wvfnc_new.F... Compiling c_wvfnc_expander.F... -Compiling c_v_wvfnc_new.F... Compiling c_wvfnc_adjust.F... +Compiling c_v_wvfnc_new.F... Compiling pspw_reformat_c_wvfnc.F... c_v_wvfnc_new.F:56:20: @@ -104494,8 +104451,8 @@ Making all in coulomb make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/coulomb' make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/coulomb' -Compiling c_coulomb_screened.F... 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) @@ -104688,25 +104645,27 @@ make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/lib/psi' Compiling cpsi.F... Compiling c_geodesic.F... -Compiling cpsi_lmbda.F... Compiling c_geodesic2.F... Compiling cpsi_lmbda2.F... -Compiling BGrsm.F... +Compiling cpsi_lmbda.F... Compiling cpsi_KS.F... +Compiling BGrsm.F... Compiling cpsi_spin2.F... Compiling c_check.F... -Compiling cpsi_read.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) +Compiling cpsi_read.F... cpsi_lmbda2.F:85:72: 85 | > failed) | 1 Warning: Type mismatch in argument 'd' at (1); passed COMPLEX(8) to REAL(8) Compiling cpsi_write.F... +Compiling crho_read.F... +Compiling crho_write.F... BGrsm.F:113:34: 83 | call ycopy(nsize,0.0d0,0,A,1) @@ -104723,9 +104682,6 @@ 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 crho_read.F... -Compiling crho_write.F... -Compiling cpsi_new.F... crho_read.F:87:25: 86 | call iread(5,version,1) @@ -104741,92 +104697,55 @@ 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) -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: +crho_write.F:90:26: - 107 | call iwrite(6,version,1) + 89 | call iwrite(6,version,1) | 2 -...... - 319 | call iwrite(6,ne,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) -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: +c_geodesic.F:928:25: - 107 | call iwrite(6,version,1) + 402 | > dbl_mb(ynewshift)) | 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: + 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: - 107 | call iwrite(6,version,1) - | 2 + 805 | > dbl_mb(tGshift),npack1, + | 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: + 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: - 107 | call iwrite(6,version,1) - | 2 + 392 | > dbl_mb(vtshift), + | 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: + 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: - 107 | call iwrite(6,version,1) - | 2 + 1421 | > dbl_mb(cpsi_data_get_allptr(Vt_tag)), + | 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: + 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: - 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) -crho_write.F:90:26: + 1668 | denergy = denergy + denergyB + | ^ +Warning: 'denergy' is used uninitialized [-Wuninitialized] +c_geodesic.F:1594:21: - 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) + 1594 | real*8 denergy,denergyB,denergyA,denergyC,denergyBdag + | ^ +note: 'denergy' was declared here cpsi_read.F:102:22: 101 | call iread(5,version,1) @@ -104930,107 +104849,91 @@ 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_new.F... Compiling v_cpsi_new.F... -c_geodesic.F:928:25: +cpsi_write.F:108:26: - 402 | > dbl_mb(ynewshift)) + 107 | call iwrite(6,version,1) | 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: + 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: - 805 | > dbl_mb(tGshift),npack1, - | 2 + 107 | call iwrite(6,version,1) + | 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: + 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: - 392 | > dbl_mb(vtshift), - | 2 + 107 | call iwrite(6,version,1) + | 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: + 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: - 1421 | > dbl_mb(cpsi_data_get_allptr(Vt_tag)), - | 2 + 107 | call iwrite(6,version,1) + | 2 ...... - 1523 | > dcpl_mb(tmp2(1)), - | 1 -Warning: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). -Compiling v_cpsi_read.F... -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 v_cpsi_write.F... -Compiling c_rho_symmetrizer.F... -Compiling cpsi_printeigall.F... -v_cpsi_write.F:92:23: - - 91 | call iwrite(6,version,1) - | 2 - 92 | call iwrite(6,nfft,3) - | 1 + 319 | call iwrite(6,ne,2) + | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -v_cpsi_write.F:101:23: +cpsi_write.F:449:23: - 91 | call iwrite(6,version,1) - | 2 + 107 | call iwrite(6,version,1) + | 2 ...... - 101 | call iwrite(6,ne,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) -v_cpsi_read.F:90:22: +cpsi_write.F:458:23: - 89 | call iread(5,version,1) - | 2 - 90 | call iread(5,nfft,3) - | 1 + 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) -v_cpsi_read.F:93:22: +cpsi_write.F:462:24: - 89 | call iread(5,version,1) - | 2 + 107 | call iwrite(6,version,1) + | 2 ...... - 93 | call iread(5,ne,2) - | 1 + 462 | call iwrite(37,nfft,3) + | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) -v_cpsi_read.F:103:49: +cpsi_write.F:465:24: - 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) - | 2 - 102 | msglen = 3 - 103 | call Parallel_Brdcst_ivalues(MASTER,msglen,nfft) - | 1 + 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) -v_cpsi_read.F:109:49: +cpsi_write.F:589:23: - 101 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) - | 2 + 107 | call iwrite(6,version,1) + | 2 ...... - 109 | call Parallel_Brdcst_ivalues(MASTER,msglen,ne) - | 1 + 589 | 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_read.F:203:50: +cpsi_write.F:598:23: - 185 | call cpsi_data_add(psi0_tag,nbq,q,dcpl_mb(tmp2(1))) - | 2 + 107 | call iwrite(6,version,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)). + 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 v_cpsi_read.F... +Compiling v_cpsi_write.F... +Compiling c_rho_symmetrizer.F... +Compiling cpsi_printeigall.F... cpsi_KS.F:3326:33: 3324 | > dcpl_mb(r1(1))) @@ -105071,6 +104974,45 @@ 3241 | > dbl_mb(psi_ptr)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). +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)). cpsi_KS.F:1728:72: 1728 | > dbl_mb(psi_ptr)) @@ -105130,6 +105072,21 @@ 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) +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) cpsi.F:1431:72: 1431 | call c_electron_run00(nb,psi2_tag) @@ -105491,9 +105448,9 @@ Making all in APC make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis/APC' -make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis/APC' Compiling band_analysis.F... Compiling orb_pop_borb.F... +make[7]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/band/analysis/APC' band_analysis.F:161:40: 138 | if (.not. btdb_get(rtdb,id,mt_int,1,int_mb(lorb(1)+k-1))) then @@ -105566,8 +105523,8 @@ Making all in minimizer make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/minimizer' -Compiling ofpw_energy.F... make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw/minimizer' +Compiling ofpw_energy.F... Compiling task_ofpw.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/nwpw/ofpw' Compiling ofpw_minimizer.F... @@ -105719,6 +105676,13 @@ 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_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_read.F:84:49: 82 | call Parallel_Brdcst_ivalues(MASTER,msglen,version) @@ -105727,21 +105691,6 @@ 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) -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) @@ -105750,6 +105699,14 @@ 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_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) chi_expander.F:72:20: 71 | call iwrite(6,version,1) @@ -105931,6 +105888,7 @@ 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 dpssb3.F... dcfti1.F:19:72: 19 | if (j.gt.4) ntry = ntry + 2 @@ -105941,7 +105899,7 @@ 18 | if (j.le.4) ntry = ntryh(j) | ^ note: 'ntry' was declared here -Compiling dpssb3.F... +Compiling spssb3.F... scfti1.F:14:72: 14 | 103 ntry = ntry+2 @@ -105952,56 +105910,9 @@ 12 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here -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... dpssb3.F:46:41: 33 | do 103 i=2,ido,2 @@ -106010,6 +105921,7 @@ 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) +Compiling spssb5.F... dpssb3.F:47:43: 33 | do 103 i=2,ido,2 @@ -106034,9 +105946,6 @@ 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 spssb4.F... -Compiling dpssb5.F... -Compiling spssb5.F... Compiling dpssf.F... dpssb5.F:81:43: @@ -106103,6 +106012,54 @@ | 1 Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf.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 dpssf2.F... dpssf2.F:25:41: @@ -106122,6 +106079,7 @@ Warning: Array reference at (1) out of bounds (2 > 1) in loop beginning at (2) Compiling spssf2.F... Compiling dpssf3.F... +Compiling spssf3.F... dpssf3.F:44:41: 31 | do 103 i=2,ido,2 @@ -106154,9 +106112,9 @@ 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... Compiling spssf4.F... +Compiling dpssf5.F... dpssf4.F:51:43: 34 | do 103 i=2,ido,2 @@ -106205,7 +106163,6 @@ 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 dpssf5.F... Compiling spssf5.F... dpssf5.F:76:43: @@ -106285,7 +106242,6 @@ Compiling srfti1.F... Compiling dradb2.F... Compiling sradb2.F... -Compiling dradb3.F... dradb2.F:33:44: 28 | do i = 1, (ido - 1)/2 @@ -106302,6 +106258,7 @@ 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 dradb3.F... Compiling sradb3.F... dradb3.F:46:44: @@ -106335,6 +106292,8 @@ 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 dradb4.F... +Compiling sradb4.F... srfti1.F:16:72: 16 | 103 ntry = ntry+2 @@ -106345,9 +106304,6 @@ 14 | 102 ntry = ntryh(j) | ^ note: 'ntry' was declared here -Compiling dradb4.F... -Compiling sradb4.F... -Compiling dradb5.F... dradb4.F:54:44: 37 | do i = 1, ((ido - 1)/2) @@ -106396,6 +106352,10 @@ 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 dradb5.F... +Compiling sradb5.F... +Compiling dradbg.F... +Compiling sradbg.F... dradb5.F:71:44: 44 | do i = 1, ((ido - 1)/2) @@ -106460,11 +106420,7 @@ 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... -Compiling sradf2.F... dradf2.F:29:44: 28 | do i = 1, ((ido - 1)/2) @@ -106480,6 +106436,7 @@ 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... Compiling sradf3.F... dradf3.F:32:44: @@ -106565,7 +106522,6 @@ Compiling dradf5.F... Compiling sradf5.F... Compiling dradfg.F... -Compiling sradfg.F... dradf5.F:41:44: 40 | do i = 1, ((ido - 1)/2) @@ -106629,6 +106585,7 @@ 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 sradfg.F... make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/fftpack' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/fft/pfft1.0/fftpack' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libpfft.lock @@ -106716,17 +106673,16 @@ Compiling ana_data.F... Compiling ana_define.F... Compiling ana_diel.F... -Compiling ana_esppt.F... Compiling ana_finish.F... +Compiling ana_esppt.F... Compiling ana_groups.F... Compiling ana_hbond.F... -Compiling ana_init.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... -Compiling ana_rama.F... ana_define.F:90:29: 89 | call ga_brdcst(mag_d06,ndef,ma_sizeof(mt_int,1,mt_byte),0) @@ -106742,10 +106698,9 @@ 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_rama.F... Compiling ana_rdhdr.F... Compiling ana_rdf.F... -Compiling ana_rdfram.F... -Compiling ana_rdref.F... ana_pltgrd.F:159:29: 157 | call ga_brdcst(mag_d01,x,3*nsa*ma_sizeof(mt_dbl,1,mt_byte),0) @@ -106754,6 +106709,8 @@ 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_rdfram.F... +Compiling ana_rdref.F... Compiling ana_rdtop.F... ana_rdfram.F:194:29: @@ -106764,6 +106721,7 @@ Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). Compiling ana_report.F... Compiling ana_rmsdev.F... +Compiling ana_rtdbin.F... ana_rdtop.F:165:29: 163 | call ga_brdcst(mag_d02,ltop,ma_sizeof(mt_log,1,mt_byte),0) @@ -106772,9 +106730,7 @@ 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_rtdbin.F... Compiling ana_select.F... -Compiling ana_sizref.F... ana_report.F:135:58: 135 | + ndxj(j,3),jtxt(j),tim(j),100.0d0*tim(j)/(timf-timi) @@ -106785,9 +106741,9 @@ 71 | real*8 ctime,ptime,dtime,timi,timf | ^ note: 'timf' was declared here +Compiling ana_sizref.F... Compiling ana_tag.F... Compiling ana_task.F... -Compiling ana_torsion.F... ana_tag.F:124:29: 123 | call ga_brdcst(mag_d06,byte_mb(i_tag),48*nsa,0) @@ -106795,11 +106751,13 @@ 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_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... ana_task.F:1004:72: 1004 | + nsa,msa,.true.,rms0,rms1,dbl_mb(i_wdat),mwm,nwm,mwa,nwa,.true.) @@ -106815,7 +106773,6 @@ 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_covar.F... Compiling analyz.F... ana_groups.F:431:72: @@ -107092,20 +107049,17 @@ Compiling cf_d.F... Compiling cf_fp.F... Compiling cf_f.F... -Compiling cf_forcep.F... Compiling cf_finish.F... Compiling cf_forces.F... +Compiling cf_forcep.F... Compiling cf_hopping.F... Compiling cf_induce.F... Compiling cf_init.F... Compiling cf_list.F... -Compiling cf_main.F... Compiling cf_pairs.F... +Compiling cf_main.F... Compiling cf_pbc.F... Compiling cf_rdgeom.F... -Compiling cf_shake.F... -Compiling cf_grid.F... -Compiling cf_rdtop.F... cf_rdgeom.F:162:28: 131 | call ga_brdcst(mcf_01,idata,16*numbi,0) @@ -107114,22 +107068,8 @@ 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)). -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_shake.F... +Compiling cf_grid.F... cf_init.F:520:28: 518 | call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) @@ -107154,9 +107094,26 @@ 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) +Compiling cf_rdtop.F... Compiling cf_uhop.F... Compiling pme_init.F... Compiling pme_fft.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 pme_grid.F... pme_grid.F:522:49: @@ -107591,6 +107548,8 @@ Compiling ratoms.F... Compiling rstat.F... Compiling rpath.F... +Compiling rgeom.F... +Compiling rgsad.F... drdy_input.F:113:55: 110 | if (.not. rtdb_put(rtdb,'drdy:autosym',mt_log,1,oautosym)) @@ -107599,8 +107558,6 @@ 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 rgsad.F... -Compiling rgeom.F... Compiling rphwrt.F... Compiling drdy_sort.F... Compiling react.F... @@ -107620,7 +107577,6 @@ Compiling saddle.F... Compiling setpth.F... Compiling diagf.F... -Compiling pmlqsp.F... drdy_nwc_get.F:24:55: 16 | if (.not.rtdb_get(rtdb,'task:status', mt_log, 1, task_status)) @@ -107629,7 +107585,7 @@ 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 mxlneq.F... +Compiling pmlqsp.F... setpth.F:33:10: 33 | if (u0(ilrg,1)*dir .lt. 0.0d00) then @@ -107640,6 +107596,7 @@ 12 | Integer i,ierr,ilrg | ^ note: 'ilrg' was declared here +Compiling mxlneq.F... Compiling pmclqa.F... Compiling path.F... Compiling path2.F... @@ -107647,6 +107604,7 @@ Compiling euler.F... Compiling pmlqa.F... Compiling dsdt.F... +Compiling rsp.F... pmlqa.F:89:72: 89 | t = t - (dels-s)*delt/(slast-s) @@ -107657,7 +107615,6 @@ 25 | Double Precision arg,delt,ft,ftlast,s,slast,sum,t,ts,xnorm | ^ note: 'slast' was declared here -Compiling rsp.F... Compiling pmcube.F... Compiling fdiag.F... Compiling potsp.F... @@ -107667,7 +107624,6 @@ Compiling io.F... Compiling sumout.F... Compiling wfiles.F... -Compiling nwc_gen.F... rsp.F:311:16: 311 | IF (E2(M) .LE. C) GO TO 120 @@ -107678,6 +107634,7 @@ 308 | C = B * B | ^ note: 'c' was declared here +Compiling nwc_gen.F... nwc_gen.F:78:59: 74 | if (.not. rtdb_get(my_rtdb,'drdy:autosym',mt_log,1,oautosym)) @@ -107791,6 +107748,17 @@ Compiling qmmm_utils.F... Compiling task_qmmm_energy.F... Compiling qmmm_main.F... +Compiling qmmm_check_forces.F... +Compiling qmmm_bq.F... +Compiling qmmm_esp.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)). qmmm_lbfgsb.F:112:56: 103 | if (.not. rtdb_get(irtdb,'driver:gmax_tol',mt_dbl,1,tol(1))) @@ -107825,20 +107793,24 @@ 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_check_forces.F... -Compiling qmmm_bq.F... -qmmm_main.F:72:54: +qmmm_bq.F:66:34: - 42 | if (.not. rtdb_get(inrtdb,'qmmm:init',mt_log,1,qmmm_init)) - | 2 + 42 | > mt_dbl,3*n,c)) + | 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_esp.F... + 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_cons.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_geom.F... -Compiling qmmm_bq_data.F... task_qmmm_gradient.F:283:50: 126 | $ numerical)) numerical = .false. @@ -107863,25 +107835,27 @@ 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)). -qmmm_check_forces.F:100:56: +Compiling qmmm_bq_data.F... +Compiling task_qmmm_optimize.F... +Compiling task_qmmm_dynamics.F... +task_qmmm_energy.F:1051:32: - 47 | > mt_int,1,nregion)) - | 2 + 1024 | if (.not. rtdb_get(rtdb, 'qmmm:active_region', mt_log,1,oregion)) + | 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)). -qmmm_bq.F:66:34: + 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: - 42 | > mt_dbl,3*n,c)) - | 2 + 604 | if(.not.rtdb_put(rtdb,'qmmm:readesp',mt_log,1,.true.)) + | 1 ...... - 66 | > mt_int,1,0)) - | 1 -Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). -Compiling task_qmmm_optimize.F... -Compiling task_qmmm_dynamics.F... + 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_output.F... +Compiling mm_utils.F... task_qmmm_dynamics.F:110:28: 102 | > mt_int,1,nregion)) @@ -107898,11 +107872,6 @@ 265 | + 1,r)) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/REAL(8)). -task_qmmm_dynamics.F:152:21: - - 152 | logical status - | ^ -Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] qmmm_cons.F:230:28: 89 | if (.not. rtdb_get(irtdb,'qmmm:fixsolvent',mt_log,1,fixw)) @@ -107911,6 +107880,27 @@ 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)). +task_qmmm_dynamics.F:152:21: + + 152 | logical status + | ^ +Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] +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)). qmmm_output.F:70:43: 70 | if (.not.rtdb_get(irtdb,tag,mt_int,1,bq_exclude)) then @@ -107919,6 +107909,17 @@ 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)). +qmmm_cons.F:385:72: + + 385 | log_mb(i_maps+i-1) = flag + | ^ +Warning: 'flag' may be used uninitialized [-Wmaybe-uninitialized] +qmmm_cons.F:338:18: + + 338 | logical flag + | ^ +note: 'flag' was declared here +Compiling qmmm_input.F... qmmm_bq_data.F:66:26: 66 | call errquit(pname,"unknown option for charge expand",0,0) @@ -107977,7 +107978,6 @@ 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 mm_utils.F... qmmm_bq_data.fh:27:26: 27 | common/qmmm_bq_data/ @@ -108078,86 +108078,22 @@ 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 qmmm_input.F... 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_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) -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)). -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: +Compiling qmmm_pes.F... +task_qmmm_energy.F:1671:72: - 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: + 1671 | if(nregion.eq.0) return + | ^ +Warning: '__result_task_qmmm_energy_pes' may be used uninitialized [-Wmaybe-uninitialized] +task_qmmm_energy.F:1524:6: - 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)). + 1524 | function task_qmmm_energy_pes(irtdb) + | ^ +note: '__result_task_qmmm_energy_pes' was declared here qmmm_input.F:550:44: 550 | if (.not.rtdb_put(rtdb,tag,mt_int,1,itok)) @@ -108179,33 +108115,7 @@ 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_cons.F:385:72: - - 385 | log_mb(i_maps+i-1) = flag - | ^ -Warning: 'flag' may be used uninitialized [-Wmaybe-uninitialized] -qmmm_cons.F:338:18: - - 338 | logical flag - | ^ -note: 'flag' was declared here -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_property.F... qmmm_pes.F:112:28: 104 | + 1,ncycles)) @@ -108214,11 +108124,6 @@ 112 | + 2,rb)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). -qmmm_pes.F:24:21: - - 24 | logical status - | ^ -Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] qmmm_esp.F:316:19: 316 | if(ofile.and.ga_nodeid().eq.0) then @@ -108229,24 +108134,81 @@ 272 | logical ofile | ^ note: 'ofile' was declared here -task_qmmm_optimize.F:654:21: +Compiling task_qmmm_fep.F... +Compiling task_qmmm_abc.F... +qmmm_pes.F:24:21: - 654 | logical status + 24 | logical status | ^ Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] -Compiling qmmm_property.F... -Compiling task_qmmm_fep.F... -Compiling task_qmmm_abc.F... -task_qmmm_optimize.F:422:72: +task_qmmm_optimize.F:173:32: - 422 | return + 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)). +task_qmmm_energy.F:1420:72: + + 1420 | if(nregion.eq.0) return | ^ -Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] -task_qmmm_optimize.F:365:21: +Warning: '__result_task_qmmm_energy_pes' may be used uninitialized [-Wmaybe-uninitialized] +task_qmmm_energy.F:1273:6: - 365 | logical status - | ^ -note: 'status' was declared here + 1273 | function task_qmmm_energy_pes0(irtdb) + | ^ +note: '__result_task_qmmm_energy_pes' was declared here +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) qmmm_esp.F:436:19: 436 | if(ofile.and.ga_nodeid().eq.0) then @@ -108257,16 +108219,6 @@ 388 | logical ofile | ^ note: 'ofile' was declared here -task_qmmm_energy.F:1671:72: - - 1671 | if(nregion.eq.0) return - | ^ -Warning: '__result_task_qmmm_energy_pes' may be used uninitialized [-Wmaybe-uninitialized] -task_qmmm_energy.F:1524:6: - - 1524 | function task_qmmm_energy_pes(irtdb) - | ^ -note: '__result_task_qmmm_energy_pes' was declared here task_qmmm_fep.F:1000:58: 997 | if (.not.rtdb_get(rtdb,"qmmm:lambda",mt_dbl,1,lambda)) @@ -108323,16 +108275,21 @@ 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)). -task_qmmm_energy.F:1420:72: +task_qmmm_optimize.F:654:21: - 1420 | if(nregion.eq.0) return + 654 | logical status + | ^ +Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] +task_qmmm_optimize.F:422:72: + + 422 | return | ^ -Warning: '__result_task_qmmm_energy_pes' may be used uninitialized [-Wmaybe-uninitialized] -task_qmmm_energy.F:1273:6: +Warning: 'status' may be used uninitialized [-Wmaybe-uninitialized] +task_qmmm_optimize.F:365:21: - 1273 | function task_qmmm_energy_pes0(irtdb) - | ^ -note: '__result_task_qmmm_energy_pes' was declared here + 365 | logical status + | ^ +note: 'status' was declared here task_qmmm_abc.F:457:21: 457 | logical ostatus @@ -108438,34 +108395,10 @@ Compiling qmd_start.F... Compiling task_qmd.F... Compiling qmd_nucl_dt2.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_nucl_dt.F... Compiling qmd_gradient.F... Compiling qmd_geom_store.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_thermostat.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_kinetic.F... qmd_gradient.F:43:51: @@ -108475,6 +108408,22 @@ 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) +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) +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)). qmd_input.F:67:55: 62 | if (.not.rtdb_put(rtdb,'qmd:dt_nucl',mt_dbl,1,dt_nucl)) @@ -108491,6 +108440,14 @@ 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)). +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_write_trj.F... Compiling qmd_write_rst.F... Compiling qmd_ran1.F... @@ -108500,12 +108457,12 @@ Compiling qmd_nucl_vel.F... Compiling qmd_read_rst.F... Compiling qmd_gamdev.F... -Compiling qmd_fix_momentum.F... Compiling qmd_sumno.F... -Compiling qmd_cavity.F... +Compiling qmd_fix_momentum.F... Compiling qmd_freeze_inactive.F... -Compiling qmd_coup.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... @@ -108514,7 +108471,6 @@ Compiling qmd_namd_input.F... Compiling qmd_set_den.F... Compiling qmd_coords_vels.F... -Compiling qmd_civecs_read.F... qmd_namd_init.F:72:49: 68 | if (.not.rtdb_get(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) @@ -108523,15 +108479,14 @@ 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)). -qmd_namd_input.F:46:52: +qmd_tdks_enmo.F:302:49: - 41 | if (.not.rtdb_put(rtdb,'qmd:dt_elec',mt_dbl,1,dt_elec)) - | 2 + 294 | if(.not. rtdb_put(rtdb,'dft:swap alpha',mt_int,2,swap)) + | 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_property.F... + 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_tddft_enmo.F:70:50: 70 | if(.not.rtdb_get(rtdb,'dft:energy',mt_dbl,1,en(1))) @@ -108540,14 +108495,7 @@ 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)). -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)). +Compiling qmd_civecs_read.F... qmd_tdks_enmo.F:43:51: 43 | if(.not.rtdb_get(rtdb,'task:energy',mt_dbl,1,en(1))) @@ -108556,6 +108504,15 @@ 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)). +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_property.F... Compiling qmd_ext.F... make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmd' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/qmd' @@ -108576,6 +108533,9 @@ Compiling et_2e.F... Compiling et_movecs_read.F... Compiling et_vectors_inp.F... +Compiling et_fock.F... +Compiling et_dens_prod.F... +Compiling et_omega2_mult.F... et_input.F:51:60: 41 | if (.not. rtdb_put(rtdb,'et:tol2e', MT_DBL, 1, tol2e)) @@ -108584,17 +108544,6 @@ 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)). -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_fock.F... -Compiling et_dens_prod.F... -Compiling et_omega2_mult.F... et_movecs_read.F:106:43: 102 | call ga_brdcst(Msg_Vec_Stat+MSGINT, ok, mitob1, 0) ! Propagate status @@ -108603,6 +108552,14 @@ 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)). +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)). make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/etrans' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libetrans.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/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 @@ -108617,16 +108574,8 @@ Compiling tce_init.F... Compiling tce_energy.F... Compiling tce_energy_fragment.F... -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce' Making all in include -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)). +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/include' tce_energy_fragment.F:70:56: @@ -108636,6 +108585,14 @@ 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)). +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)). tce_init.F:142:51: 99 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then @@ -108838,6 +108795,7 @@ 612 | 1 read_integrals)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(8)/INTEGER(8)). +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/include' Compiling tce_tile.F... Compiling tce_ao1e.F... Compiling tce_mo1e.F... @@ -108847,6 +108805,9 @@ Compiling deletefile.F... Compiling reconcilefile.F... Compiling dratoga.F... +Compiling gatodra.F... +Compiling gatoeaf.F... +Compiling get_block.F... tce_tile.F:207:50: 175 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then @@ -108855,10 +108816,6 @@ 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)). -Compiling gatodra.F... -Compiling gatoeaf.F... -Compiling get_block.F... -Compiling put_block.F... deletefile.F:131:12: 131 | if (j.lt.nfiles) then @@ -108869,15 +108826,16 @@ 22 | integer i,j | ^ note: 'j' was declared here +Compiling put_block.F... Compiling add_block.F... Compiling tce_tidy.F... -Compiling sf_test.F... -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/include' get_block.F:21:17: 21 | integer i,j | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] +Compiling sf_test.F... +Compiling hbar.F... put_block.F:64:72: 64 | filename = filenames(j) @@ -108888,17 +108846,16 @@ 21 | integer i,j | ^ note: 'j' was declared here -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... add_block.F:29:17: 29 | integer i,j | ^ Warning: 'j' may be used uninitialized [-Wmaybe-uninitialized] +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... @@ -108912,6 +108869,11 @@ 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... tce_tile.F:357:72: 357 | oatiles(1)=nblocks_a @@ -108922,17 +108884,13 @@ 68 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here -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... Compiling tce_mod1_offset_new.F... +Compiling tce_eom_init.F... tce_mod1_new.F:173:24: 89 | if (debugprint) call ga_print(g_aod1) @@ -108941,7 +108899,6 @@ 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_eom_init.F... Compiling tce_eom_tidy.F... Compiling tce_eom_xdiagon.F... Compiling tce_eom_ydiagon.F... @@ -108968,6 +108925,7 @@ Compiling tce_x3a_offset.F... Compiling tce_cholesky.F... Compiling tce_ao2e_cholesky.F... +Compiling tce_ao2e_cholesky_2d.F... tce_cholesky.F:58:53: 50 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then @@ -108976,7 +108934,6 @@ 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_2d.F... Compiling tce_ao2e_cholesky_4d.F... Compiling e2_offset_2_offset.F... Compiling get_block_ind.F... @@ -108989,6 +108946,7 @@ Compiling tce_mo2e_zones_4a_disk_ga.F... Compiling tce_mo2e_zones_4a_disk_ga_chop.F... Compiling tce_mo2e_zones_4a_disk_2s_new.F... +Compiling tce_restart.F... get_block_ind.F:200:72: 200 | 1 int_mb(k_spin+g1b-1)+int_mb(k_spin+g2b-1) @@ -109099,7 +109057,6 @@ 21 | INTEGER size_last | ^ note: 'size_last' was declared here -Compiling tce_restart.F... Compiling tce_restart_triples.F... get_block_ind_sf.F:188:72: @@ -109161,6 +109118,16 @@ 45 | integer key_ix,nkey,first_h,second_h | ^ note: 'second_h' was declared here +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 tce_mo2e_offset_intorb.F:597:72: 597 | int_mb(k_a_offset+4*(length1+1)+ipos)=g1a @@ -109211,16 +109178,6 @@ 471 | INTEGER size_last | ^ note: 'size_last' was declared here -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_restart_quadruples.F... Compiling tce_dens_hh_offset.F... tce_mo2e_zones_4a_disk_ga_chop.F:580:72: @@ -109233,12 +109190,12 @@ 84 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here +Compiling tce_dens_hp_offset.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/include' make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/include' Making all in diis -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis' -Compiling tce_dens_hp_offset.F... Compiling tce_dens_pp_offset.F... +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis' Compiling tce_dens_ph_offset.F... Compiling get_mo_rdm_hh.F... Compiling get_mo_rdm_hp.F... @@ -109254,8 +109211,6 @@ Compiling tce_reference_check.F... Compiling tce_fourindex_cleanup.F... Compiling tce_fock_destroy.F... -Compiling tce_multipole_destroy.F... -Compiling tce_create_t1.F... tce_reference_check.F:43:53: 35 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then @@ -109264,6 +109219,8 @@ 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_multipole_destroy.F... +Compiling tce_create_t1.F... Compiling tce_create_t2.F... Compiling tce_create_t3.F... Compiling tce_create_t4.F... @@ -109317,6 +109274,10 @@ Compiling tce_tile_new.F... Compiling tce_init_new.F... Compiling tce_mo2e_zones_4a_disk_4s_new_patch.F... +Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... +Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... +Compiling tce_ao2e_disk.F... +Compiling tce_mo2e_disk.F... tce_tile_new.F:112:50: 98 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then @@ -109325,7 +109286,6 @@ 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)). -Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m2.F... tce_init_new.F:121:51: 78 | if (.not.rtdb_get(rtdb,'dft:skeleton',mt_log,1,oskel)) then @@ -109366,12 +109326,7 @@ 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) -Compiling tce_mo2e_zones_4a_disk_4s_new_patch_m3.F... -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... tce_tile_new.F:451:72: 451 | oatiles(1)=nblocks_a @@ -109382,6 +109337,9 @@ 387 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here +Compiling tce_mo2e_incore_2eorb.F... +Compiling tce_mo2e_incore_2eorb_split.F... +Compiling tce_mo2e_hybrid_2eorb_split.F... tce_init_new.F:602:10: 602 | if (rohf) nmo(2) = nmo(1) @@ -109392,8 +109350,6 @@ 42 | logical rohf | ^ note: 'rohf' was declared here -Compiling tce_mo2e_hybrid_2eorb_split.F... -Compiling tce_mo2e_offset_intorb_hybrid.F... tce_tile_new.F:750:72: 750 | oatiles(1)=nblocks_a @@ -109404,7 +109360,7 @@ 686 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here -make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis' +Compiling tce_mo2e_offset_intorb_hybrid.F... Compiling tce_mo2e_2emet3.F... Compiling tce_mo2e_2emet3_n5.F... tce_mo2e_2emet3.F:572:72: @@ -109417,6 +109373,26 @@ 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here +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 tce_mo2e_2emet3_n5.F:602:72: 602 | key_end(i)=ibuba @@ -109427,6 +109403,7 @@ 76 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here +Compiling tce_mo2e_2emet4.F... tce_mo2e_zones_4a_disk_4s_new_patch_m2.F:262:10: 262 | if(size_4af.le.size_max2) then @@ -109447,7 +109424,6 @@ 96 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here -Compiling tce_mo2e_2emet4.F... Compiling tce_mo2e_2emet4_n5.F... tce_mo2e_hybrid_2eorb_split.F:262:11: @@ -109469,26 +109445,6 @@ 97 | integer key_4af,offset_4af,size_4af | ^ note: 'size_4af' was declared here -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 tce_mo2e_2emet4.F:578:72: 578 | key_end(i)=ibuba @@ -109499,9 +109455,6 @@ 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... tce_mo2e_2emet4_n5.F:578:72: 578 | key_end(i)=ibuba @@ -109512,10 +109465,15 @@ 82 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here +make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/diis' +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... tce_dgeev.F:402:72: 402 | WORK( 1 ) = MAXWRK @@ -109526,9 +109484,9 @@ 124 | $ MAXB, MAXWRK, MINWRK, NOUT | ^ note: 'maxwrk' was declared here -Compiling tce_schmidt.F... Compiling tensor_read_write.F... Compiling tce_diis_act.F... +Compiling tce_mo2e_zones_4a_disk_ga_act.F... tensor_read_write.F:129:39: 95 | k = eaf_write(unitn, offset, max_ioprocs, @@ -109545,19 +109503,31 @@ 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_mo2e_zones_4a_disk_ga_act.F... Compiling tce_mo2e_zones_4a_disk_ga_chop_act.F... Compiling tce_t2a_offset.F... Compiling tce_x2a_offset.F... Compiling new_ga4ind_N5.F... Compiling new4ind_N5_osu.F... Compiling tce_mo2e_zones_4a_disk_ga_N5.F... -Compiling tce_diis.F... +Compiling tce_mo2e_zones_4a_disk_ga_chop_N5.F... +Compiling tce_eom_xguess.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 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 tce_eom_yguess.F... +Compiling ma_transpose.F... tce_mo2e_zones_4a_disk_ga_chop_act.F:753:72: 753 | key_end(i)=ibuba @@ -109568,27 +109538,16 @@ 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here -Compiling tce_mo2e_zones_4a_disk_ga_chop_N5.F... -Compiling tce_eom_xguess.F... -Compiling tce_eom_yguess.F... -tce_mo2e_zones_4a_disk_ga_act.F:738:72: +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_act.F:86:34: +tce_mo2e_zones_4a_disk_ga_chop_N5.F:91:34: - 86 | integer imaxp12,istart,ibuba,sumx + 91 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here -Compiling ma_transpose.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... tce_mo2e_zones_4a_disk_ga_N5.F:700:72: 700 | key_end(i)=ibuba @@ -109599,22 +109558,20 @@ 86 | integer imaxp12,istart,ibuba,sumx | ^ note: 'ibuba' was declared here +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... -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_jacobi_x3.F... Compiling tce_jacobi_x4.F... Compiling tce_jacobi_y1.F... @@ -109660,16 +109617,18 @@ Compiling tce_gradient.F... Compiling ccsd_energy.F... Compiling ccsd_left.F... -Compiling ccsd_1pdm_hh_mo.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_hhhh_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... tce_gradient.F:325:54: 317 | if (.not.rtdb_get(rtdb,'tce:reference',mt_int,1,reference)) then @@ -109686,8 +109645,6 @@ 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_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... @@ -109763,8 +109720,8 @@ Compiling tce_dens_pphh_offset.F... Compiling tce_dens_pphp_offset.F... Compiling tce_dens_pppp_offset.F... -Compiling tce_2pdm_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... @@ -109793,8 +109750,6 @@ Compiling eomccsd_energy.F... Compiling eomccsd_left.F... Compiling eomccsd_gradients.F... -Compiling eomccsd_1pdm_hh_mo.F... -Compiling eomccsd_1pdm_pp_mo.F... tce_grad_force.F:202:63: 200 | if (.not. rtdb_get(rtdb, 'dft:cdfit', mt_log, 1, ocdfit)) @@ -109803,6 +109758,8 @@ 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 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... @@ -109941,6 +109898,17 @@ Compiling ccsd2_q.F... Compiling ccsd2_q_left.F... Compiling ccsd2_q_right.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 +Compiling ccsdt2_q.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) @@ -109961,18 +109929,6 @@ 36 | integer k_left,l_left | ^ note: 'k_left' declared here -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 -Compiling ccsdt2_q.F... -Compiling ccsdt2_q_left.F... ccsd2_q.F:58:72: 58 | 2 t_p5b,t_p6b,t_p7b,t_p8b,1) @@ -109993,10 +109949,8 @@ 42 | integer k_right,l_right | ^ note: 'k_right' 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... ccsdt2_q.F:83:72: 83 | 5 t_p5b,t_p6b,t_p7b,t_p8b,1) @@ -110007,6 +109961,9 @@ 43 | integer k_left,l_left | ^ note: 'k_left' declared here +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... Compiling m2_dot_m1t1.F... @@ -110081,6 +110038,7 @@ 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... 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) @@ -110101,6 +110059,8 @@ 66 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here +Compiling offset_cr_eomccsd_t_n2_1_1.F... +Compiling cr_eomccsd_t_n2_1_1_1.F... 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) @@ -110121,9 +110081,6 @@ 85 | integer k_left,l_left | ^ note: 'k_left' declared here -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... @@ -110354,124 +110311,124 @@ Compiling c2vt1_s.F... Compiling emb1.F... Compiling emb2.F... -emb1.F:288:72: +emb2.F:295:72: - 288 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 295 | &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: +emb2.F:82:22: - 80 | integer k_right1,l_right1 !r0*M3(T1,T2) + 82 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here -emb1.F:303:72: +emb2.F:308:72: - 303 | &l_i2_offset_3,l_i2_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 308 | &t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_right2' is used uninitialized [-Wuninitialized] -emb1.F:81:22: +emb2.F:83:22: - 81 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) + 83 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here -emb1.F:312:72: +emb2.F:317:72: - 312 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 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] -emb1.F:79:19: +emb2.F:81:19: - 79 | integer k_den,l_den + 81 | integer k_den,l_den | ^ note: 'k_den' declared here -emb1.F:308:72: +emb2.F:313:72: - 308 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 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] -emb1.F:89:20: +emb2.F:92:20: - 89 | integer k_den0,l_den0 + 92 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here -emb1.F:321:72: +emb2.F:326:72: - 321 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 326 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] -emb1.F:126:20: +emb2.F:129:20: - 126 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe + 129 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here -emb1.F:336:72: +emb2.F:341:72: - 336 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 341 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] -emb1.F:128:25: +emb2.F:131:25: - 128 | integer l_c1v,k_c1v + 131 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here -emb2.F:295:72: +emb1.F:288:72: - 295 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 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] -emb2.F:82:22: +emb1.F:80:22: - 82 | integer k_right1,l_right1 !r0*M3(T1,T2) + 80 | integer k_right1,l_right1 !r0*M3(T1,T2) | ^ note: 'k_right1' declared here -emb2.F:308:72: +emb1.F:303:72: - 308 | &t_h3b,t_p4b,t_p5b,t_p6b,1) + 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] -emb2.F:83:22: +emb1.F:81:22: - 83 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) + 81 | integer k_right2,l_right2 !M3(T1,T2,X1,X2) | ^ note: 'k_right2' declared here -emb2.F:317:72: +emb1.F:312:72: - 317 | &l_i3_offset_1,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 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] -emb2.F:81:19: +emb1.F:79:19: - 81 | integer k_den,l_den + 79 | integer k_den,l_den | ^ note: 'k_den' declared here -emb2.F:313:72: +emb1.F:308:72: - 313 | 2 l_i1_offset_4,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 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] -emb2.F:92:20: +emb1.F:89:20: - 92 | integer k_den0,l_den0 + 89 | integer k_den0,l_den0 | ^ note: 'k_den0' declared here -emb2.F:326:72: +emb1.F:321:72: - 326 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 321 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c2vs' is used uninitialized [-Wuninitialized] -emb2.F:129:20: +emb1.F:126:20: - 129 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe + 126 | integer k_c2vs,k_c2ve,k_c2fs,k_c2fe | ^ note: 'k_c2vs' declared here -emb2.F:341:72: +emb1.F:336:72: - 341 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 336 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) | ^ Warning: 'k_c1v' is used uninitialized [-Wuninitialized] -emb2.F:131:25: +emb1.F:128:25: - 131 | integer l_c1v,k_c1v + 128 | integer l_c1v,k_c1v | ^ note: 'k_c1v' declared here make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/emb' @@ -110545,8 +110502,8 @@ Compiling ccsdt3_t3.F... Compiling eomccsdt1_x3.F... Compiling eomcc3_x3.F... -Compiling eomccsdt3_x3.F... Compiling cc3_lambda3.F... +Compiling eomccsdt3_x3.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cc3' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/cc3' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock @@ -110679,8 +110636,8 @@ make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_act' Compiling ccsd_ea.F... -Compiling ccsd_t2a.F... Compiling ccsd_t1a.F... +Compiling ccsd_t2a.F... Compiling activity.F... make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_act' make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/ccsd_act' @@ -110715,42 +110672,42 @@ Compiling cr_eomccsd_tasim.F... Compiling cr_eomt_simac.F... Compiling ccsd_t_d_act.F... -cr_eomccsd_tasim.F:261:72: +cr_eomccsd_t_act.F:253:72: - 261 | &t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 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_tasim.F:84:21: +cr_eomccsd_t_act.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here -cr_eomccsd_tasim.F:267:72: +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_tasim.F:86:20: +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: +cr_eomccsd_tasim.F:261:72: - 253 | 3 l_i1_offset_2,t_h1b,t_h2b,t_h3b,t_p4b,t_p5b,t_p6b,1) + 261 | &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: +cr_eomccsd_tasim.F:84:21: 84 | integer k_right,l_right | ^ note: 'k_right' declared here -cr_eomccsd_t_act.F:267:72: +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_t_act.F:86:20: +cr_eomccsd_tasim.F:86:20: 86 | integer k_left,l_left | ^ @@ -110972,8 +110929,8 @@ 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_1.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... @@ -111027,8 +110984,8 @@ Compiling ccsdt_t3a_8.F... Compiling ccsdt_t3a_8_1.F... Compiling OFFSET_ccsdt_t3a_8_1.F... -Compiling OFFSET_ccsdt_t3a_8_1_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... @@ -111119,8 +111076,8 @@ Compiling OFFSET_ccsdt_lambda1_5_6_1.F... Compiling ccsdt_lambda1_5_6_2.F... Compiling ccsdt_lambda1_5_7.F... -Compiling ccsdt_lambda1_6.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... @@ -111219,8 +111176,8 @@ 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_14.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... @@ -111380,8 +111337,8 @@ Compiling ccsdt_lambda2_2_2.F... Compiling ccsdt_lambda2_3.F... Compiling ccsdt_lambda2_3_1.F... -Compiling ccsdt_lambda2_3_2.F... Compiling OFFSET_ccsdt_lambda2_3_1.F... +Compiling ccsdt_lambda2_3_2.F... Compiling ccsdt_lambda2_4.F... Compiling ccsdt_lambda2_5.F... Compiling ccsdt_lambda2_5_1.F... @@ -111395,8 +111352,8 @@ Compiling ccsdt_lambda2_6.F... Compiling ccsdt_lambda2_6_1.F... Compiling OFFSET_ccsdt_lambda2_6_1.F... -Compiling ccsdt_lambda2_6_3.F... Compiling ccsdt_lambda2_6_2.F... +Compiling ccsdt_lambda2_6_3.F... Compiling ccsdt_lambda2_6_4.F... Compiling ccsdt_lambda2_6_4_1.F... Compiling OFFSET_ccsdt_lambda2_6_4_1.F... @@ -111425,8 +111382,8 @@ Compiling OFFSET_ccsdt_lambda2_10_2_2_1.F... Compiling ccsdt_lambda2_10_2_2_2.F... Compiling ccsdt_lambda2_10_2_3.F... -Compiling ccsdt_lambda2_10_3.F... Compiling ccsdt_lambda2_10_2_4.F... +Compiling ccsdt_lambda2_10_3.F... Compiling ccsdt_lambda2_10_3_1.F... Compiling OFFSET_ccsdt_lambda2_10_3_1.F... Compiling ccsdt_lambda2_10_3_2.F... @@ -111522,8 +111479,8 @@ Compiling OFFSET_ccsdt_lambda2_21_1.F... Compiling ccsdt_lambda2_22.F... Compiling ccsdt_lambda2_22_1.F... -Compiling ccsdt_lambda2_23.F... Compiling OFFSET_ccsdt_lambda2_22_1.F... +Compiling ccsdt_lambda2_23.F... Compiling ccsdt_lambda2_23_1.F... Compiling OFFSET_ccsdt_lambda2_23_1.F... Compiling ccsdt_lambda2_23_2.F... @@ -111533,8 +111490,8 @@ Compiling ccsdt_lambda2_23_3.F... Compiling ccsdt_lambda2_23_3_1.F... Compiling OFFSET_ccsdt_lambda2_23_3_1.F... -Compiling ccsdt_lambda2_24_1.F... Compiling ccsdt_lambda2_24.F... +Compiling ccsdt_lambda2_24_1.F... Compiling OFFSET_ccsdt_lambda2_24_1.F... Compiling ccsdt_lambda2_24_1_1.F... Compiling OFFSET_ccsdt_lambda2_24_1_1.F... @@ -111627,8 +111584,8 @@ 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_2.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... @@ -111770,8 +111727,8 @@ Compiling alpha_2_3_4_1.F... Compiling alpha_2_3_4.F... Compiling alpha_2_3_5_1.F... -Compiling alpha_2_3_6_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... @@ -111830,8 +111787,8 @@ 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_2_1.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... @@ -111880,8 +111837,8 @@ 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_3_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... @@ -111901,16 +111858,16 @@ 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_3.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.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... @@ -111987,8 +111944,8 @@ 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_3_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... @@ -112092,8 +112049,8 @@ Making all in mrcc make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc' Compiling tce_mrcc_input.F... -Making all in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc' +Making all in include make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/include' tce_mrcc_input.F:127:55: @@ -112103,7 +112060,6 @@ 127 | if (.not.rtdb_put(rtdb,'mrcc:subsize',mt_int,1,isubsize)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/LOGICAL(8)). -make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/include' Compiling tce_mrcc_energy.F... Compiling tce_mrcc_readref.F... Compiling tce_mrcc_calcexcit.F... @@ -112111,21 +112067,6 @@ Compiling tce_mrcc_tile.F... Compiling tce_mrcc_macpy.F... Compiling tce_mrcc_fillindexarray.F... -Compiling tce_mrcc_uhf.F... -Compiling pgcreatefile.F... -Compiling create_mr_evl_sorted.F... -Compiling tce_mrcc_mo2e.F... -Compiling tce_mrcc_ao2e.F... -tce_mrcc_tile.F:180:50: - - 163 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then - | 2 -...... - 180 | 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)). -Compiling tce_subnxtask.F... -Compiling tce_mrcc_sublock.c... tce_mrcc_energy.F:207:57: 203 | if (.not.rtdb_get(rtdb,'mrcc:debug',mt_log,1,mrccdebug)) @@ -112147,7 +112088,22 @@ 3172 | call errquit('tce_mrcc_energy: unkown method',INPUT_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) -Compiling eaf_mrcc.F... +Compiling tce_mrcc_uhf.F... +Compiling create_mr_evl_sorted.F... +Compiling pgcreatefile.F... +Compiling tce_mrcc_mo2e.F... +Compiling tce_mrcc_ao2e.F... +Compiling tce_subnxtask.F... +make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/include' +tce_mrcc_tile.F:180:50: + + 163 | if (rtdb_get(rtdb,'tce:tilesize',mt_int,1,jsize)) then + | 2 +...... + 180 | 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)). +Compiling tce_mrcc_sublock.c... tce_subnxtask.F:85:72: 85 | end @@ -112158,6 +112114,7 @@ 1 | integer function nxtasksub(nproc,ichunk,p_handle) | ^ note: '__result_nxtasksub' was declared here +Compiling eaf_mrcc.F... Compiling tce_t3ac_offset.F... Compiling tce_t4ac_offset.F... Compiling tce_mrcc_refs_sym.F... @@ -112169,7 +112126,6 @@ Compiling tce_mrcc_jacobi_t2.F... Compiling tce_mrcc_gacp.F... Compiling tce_mrcc_daxfile.F... -Compiling tce_mrcc_diis_tidy.F... tce_mrcc_heff.F:1274:58: 1231 | if (.not.rtdb_get(rtdb,'mrcc:zignore',mt_int,1,iignore)) @@ -112186,8 +112142,13 @@ 1454 | call ga_brdcst(Msg_Vec_EVal+MSGINT+30,mkroot,inntsize, 0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/REAL(8)). +Compiling tce_mrcc_diis_tidy.F... Compiling tce_jacobi_sub_t1.F... Compiling tce_jacobi_sub_t2.F... +Compiling tce_mrcc_c1.F... +Compiling tce_mrcc_c1_offset.F... +Compiling tce_mrcc_c2.F... +Compiling tce_mrcc_c2_offset.F... tce_mrcc_tile.F:671:72: 671 | oatiles(1)=nblocks_a @@ -112198,10 +112159,6 @@ 45 | integer nblocks_a,nblocks_ia | ^ note: 'nblocks_a' was declared here -Compiling tce_mrcc_c1.F... -Compiling tce_mrcc_c1_offset.F... -Compiling tce_mrcc_c2.F... -Compiling tce_mrcc_c2_offset.F... Compiling tce_mrcc_mul_1.F... Compiling tce_mrcc_mul_2.F... Compiling tce_mrcc_diis_save.F... @@ -112243,6 +112200,7 @@ make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/include' Making all in ccsd make[5]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' +make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' tce_mrcc_heff.F:1621:28: 1621 | IF ((nxt.eq.count).or.(.not.limprovet)) THEN @@ -112253,16 +112211,15 @@ 1506 | INTEGER count | ^ note: 'count' was declared here -make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc' -make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' Compiling mr_ccsd_e.F... Compiling mr_ccsd_t1.F... -Compiling mr_ccsd_dcl.F... Compiling mr_ccsd_t2.F... +Compiling mr_ccsd_dcl.F... Compiling T2_C2_1.F... Compiling T2_C2.F... Compiling T2_pg_C2_1.F... Compiling T2_pg_C2.F... +make[5]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc' make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' make[6]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/ccsd' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libtce.lock @@ -112346,24 +112303,24 @@ 42 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here -tce_uss_offdiagonal_4.F:465:11: +tce_uss_offdiagonal_3.F:462:11: - 465 | if(ioff1.ne.ioff) then + 462 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] -tce_uss_offdiagonal_4.F:49:35: +tce_uss_offdiagonal_3.F:57:35: - 49 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 + 57 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here -tce_uss_offdiagonal_3.F:462:11: +tce_uss_offdiagonal_4.F:465:11: - 462 | if(ioff1.ne.ioff) then + 465 | if(ioff1.ne.ioff) then | ^ Warning: 'ioff' may be used uninitialized [-Wmaybe-uninitialized] -tce_uss_offdiagonal_3.F:57:35: +tce_uss_offdiagonal_4.F:49:35: - 57 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 + 49 | integer sizenew,ihashold,ioff,ioff1,ioff2,sizenew1 | ^ note: 'ioff' was declared here make[6]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/tce/mrcc/uss' @@ -112415,14 +112372,6 @@ 68 | + ns,dbl_mb(i_as))) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(8)). -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)). mm_neb.F:46:52: 46 | if(.not.rtdb_get(rtdb,'neb:nbeads',mt_int,1,nbeads)) @@ -112436,66 +112385,14 @@ 143 | & call errquit("error getting crdparm "//pname,0 -1) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) -mm_link.F:365:72: - - 365 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale - | ^ -Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] -mm_link.F:297:17: - - 297 | integer i_i, i_j - | ^ -note: 'i_i' was declared here -mm_link.F:368:72: - - 368 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale - | ^ -Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] -mm_link.F:297:22: - - 297 | integer i_i, i_j - | ^ -note: 'i_j' was declared here -mm_link.F:487:72: - - 487 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale - | ^ -Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] -mm_link.F:420:17: - - 420 | integer i_i, i_j - | ^ -note: 'i_i' was declared here -mm_link.F:490:72: - - 490 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale - | ^ -Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] -mm_link.F:420:22: - - 420 | integer i_i, i_j - | ^ -note: 'i_j' was declared here -mm_link.F:828:72: - - 828 | rh = rq - (rq-rl)*a - | ^ -Warning: 'rl' may be used uninitialized [-Wmaybe-uninitialized] -mm_link.F:812:28: - - 812 | double precision rq,rl,rh - | ^ -note: 'rl' was declared here -mm_link.F:828:72: - - 828 | rh = rq - (rq-rl)*a - | ^ -Warning: 'rq' may be used uninitialized [-Wmaybe-uninitialized] -mm_link.F:812:25: +mm_link.F:550:49: - 812 | double precision rq,rl,rh - | ^ -note: 'rq' was declared here + 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)). mm_bond.F:1508:72: 1508 | xij = br(1,i1)-br(1,i2) @@ -112566,22 +112463,26 @@ 1140 | integer i1, i2, i3 | ^ note: 'i3' was declared here -mm_data.F:574:51: +mm_link.F:365:72: - 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: + 365 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale + | ^ +Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] +mm_link.F:297:17: - 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) + 297 | integer i_i, i_j + | ^ +note: 'i_i' was declared here +mm_link.F:368:72: + + 368 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale + | ^ +Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] +mm_link.F:297:22: + + 297 | integer i_i, i_j + | ^ +note: 'i_j' was declared here mm_bond.F:1651:72: 1651 | xij = br(1,i1)-br(1,i2) @@ -112622,6 +112523,42 @@ 1597 | integer i1, i2, i3, i4 | ^ note: 'i4' was declared here +mm_link.F:487:72: + + 487 | r1(1) = dbl_mb(i_rvdw14+(i_i-1)*3)*scale + | ^ +Warning: 'i_i' may be used uninitialized [-Wmaybe-uninitialized] +mm_link.F:420:17: + + 420 | integer i_i, i_j + | ^ +note: 'i_i' was declared here +mm_link.F:490:72: + + 490 | r2(1) = dbl_mb(i_rvdw14+(i_j-1)*3)*scale + | ^ +Warning: 'i_j' may be used uninitialized [-Wmaybe-uninitialized] +mm_link.F:420:22: + + 420 | integer i_i, i_j + | ^ +note: 'i_j' was declared here +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) mm_bond.F:1258:72: 1258 | xij = br(1,i1) - br(1,i2) @@ -112652,6 +112589,26 @@ 1226 | integer i1, i2, i3 | ^ note: 'i3' was declared here +mm_link.F:828:72: + + 828 | rh = rq - (rq-rl)*a + | ^ +Warning: 'rl' may be used uninitialized [-Wmaybe-uninitialized] +mm_link.F:812:28: + + 812 | double precision rq,rl,rh + | ^ +note: 'rl' was declared here +mm_link.F:828:72: + + 828 | rh = rq - (rq-rl)*a + | ^ +Warning: 'rq' may be used uninitialized [-Wmaybe-uninitialized] +mm_link.F:812:25: + + 812 | double precision rq,rl,rh + | ^ +note: 'rq' was declared here make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/mm' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libmm.lock ar rU /build/reproducible-path/nwchem-7.2.3/build-mpich/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 @@ -112915,15 +112872,13 @@ Compiling dimqm_prep.F... Compiling dimqm_main.F... Compiling dimqm_polarizability.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 dimqm_f2d.F... +Compiling dimqm_iterative.F... +Compiling qmr_real.F... +Compiling qmr_complex.F... +Compiling matvecReal.F... +Compiling matvecComplex.F... +Compiling dimqm_EqmE.F... dimpar_input.F:265:38: 259 | $ mt_dbl, 3*iexp, expdata(1:3, 1:iexp))) @@ -112932,8 +112887,6 @@ 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_iterative.F... -Compiling qmr_real.F... dimqm_main.F:89:55: 81 | if(.not. rtdb_get(rtdb,'dimpar:coords',mt_dbl,i3,dimxyz)) @@ -112942,7 +112895,6 @@ 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)). -Compiling qmr_complex.F... dimqm_main.F:191:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) @@ -112951,22 +112903,6 @@ 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_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_main.F:220:58: 165 | if(.not.rtdb_put(rtdb,'dimqm:muind',mt_dbl,i3, muind)) @@ -112985,6 +112921,22 @@ 246 | $ call errquit("dimqm_main: can't free l_eqmn", MA_ERR) | 1 Warning: Missing actual argument for argument '_formal_7' at (1) +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) @@ -112993,18 +112945,14 @@ 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 matvecReal.F... -Compiling matvecComplex.F... -Compiling dimqm_EqmE.F... -Compiling t2.F... -qmr_complex.F:215:41: +dimqm_input.F:159:55: - 144 | call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) - | 2 + 153 | if (.not. rtdb_put(rtdb, 'dimqm:ldimqm', mt_log, 1, ldimqm)) + | 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)). + 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)). matvecReal.F:59:62: 58 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) @@ -113012,6 +112960,15 @@ 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)). +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 t2.F... matvecComplex.F:63:62: 62 | stat = rtdb_get(rtdb, 'dimpar:sPol', mt_dbl, nDIMTypes, sPol) @@ -113025,7 +112982,9 @@ Compiling dimqm_printAtomicDipoles.F... Compiling dimqm_energy.F... Compiling dimqm_printDipole.F... +Compiling dimqm_indDipoles.F... Compiling dimqm_Dens2Dipoles.F... +Compiling dimqm_printAtoms.F... dimqm_printAtomicDipoles.F:63:23: 60 | if(.not.rtdb_get(rtdb,'dimpar:typeindex',mt_int,nDIM,tx)) @@ -113034,12 +112993,8 @@ 63 | $ elements)) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(1)/INTEGER(8)). -Compiling dimqm_indDipoles.F... -Compiling dimqm_printAtoms.F... Compiling dimqm_addop.F... Compiling dimqm_lclfld.F... -Compiling seeded_qmr_real.F... -Compiling qmr_seed_real.F... dimqm_printAtoms.F:39:59: 37 | $ elements)) @@ -113048,6 +113003,9 @@ 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 seeded_qmr_real.F... +Compiling qmr_seed_real.F... +Compiling seeded_qmr_real_augment.F... qmr_seed_real.F:188:37: 97 | if(.not.rtdb_put(rtdb,'seed:k'//dir, mt_int, 1, niter)) @@ -113056,8 +113014,6 @@ 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... -Compiling dimqm_tidy.F... dimqm_addop.F:294:63: 156 | if (.not.rtdb_get(dimqm_rtdb, 'lkain:rmax', mt_dbl, 1, rmax)) @@ -113114,6 +113070,25 @@ 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_tidy.F... +Compiling qmr_seed_complex.F... +Compiling seeded_qmr_complex.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)). seeded_qmr_real.F:121:38: 109 | if(.not.rtdb_get(rtdb,'seed:k'//dir, mt_int, 1, k)) @@ -113122,8 +113097,6 @@ 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_complex.F... -Compiling seeded_qmr_complex.F... Compiling dimqm_broadcast.F... dimqm_lclfld.F:199:21: @@ -113135,23 +113108,8 @@ Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) Compiling CubicSpline.F... Compiling dim_fock_xc.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 dim_getv.F... +Compiling dim_tabcd.F... qmr_seed_complex.F:202:36: 199 | $ mt_dcpl, 1, sinn)) @@ -113168,15 +113126,6 @@ 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 dim_tabcd.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)). seeded_qmr_complex.F:128:37: 116 | if(.not.rtdb_get(rtdb,'seed:k'//dir//'c', mt_int, 1, k)) @@ -113200,12 +113149,19 @@ 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 dim_eval_fnl.F... dim_getv.F:107:72: 107 | & time2_xc-time1_xc | ^ Warning: 'time1_xc' may be used uninitialized [-Wmaybe-uninitialized] +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)). dim_getv.F:78:31: 78 | double precision time1_xc,time2_xc @@ -113221,6 +113177,7 @@ 78 | double precision time1_xc,time2_xc | ^ note: 'time2_xc' was declared here +Compiling dim_eval_fnl.F... Compiling dim_grid_quadv0.F... Compiling dim_grid_quadv0a.F... Compiling dim_grid_quadv0b.F... @@ -113228,6 +113185,14 @@ Compiling dimqm_rohf.F... Compiling dimqm_util.F... Compiling dimqm_addop_uhf.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)). dim_grid_quadv0.F:279:24: 111 | if (.not.rtdb_get(rtdb,'dft:largenode', mt_log, 1, largenode)) @@ -113241,14 +113206,6 @@ 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) -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)). dimqm_rohf.F:136:59: 44 | if(.not. rtdb_put(rtdb, 'dimqm:lfirst', mt_log, 1, lfirst)) @@ -113373,6 +113330,21 @@ Compiling gw_input.F... Compiling gw_defaults.F... Compiling gw_init.F... +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... +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_cdgw_newton.F... gw_input.F:64:54: 62 | if (.not.rtdb_put(rtdb, 'gw:evgw0', mt_log, 1, .true.)) @@ -113413,21 +113385,8 @@ 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_finalize.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_memory.F... -Compiling gw_vxc.F... -Compiling gw_donewton.F... -Compiling gw_cdgw.F... -Compiling gw_cdgw_buildin.F... -Compiling gw_cdgw_newton.F... +Compiling gw_cdgw_graph.F... +Compiling gw_analytic.F... gw_init.F:83:56: 80 | if (.not.rtdb_get(pars%rtdb,'gw:init',mt_log,1,init)) @@ -113444,10 +113403,7 @@ 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_cdgw_graph.F... -Compiling gw_analytic.F... Compiling gw_analytic_newton.F... -Compiling gw_analytic_graph.F... gw_cdgw_newton.F:87:28: 86 | call ga_brdcst(1038,nclusters,ma_sizeof(mt_int,1,mt_byte),0) @@ -113463,7 +113419,7 @@ 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)). -make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol' +Compiling gw_analytic_graph.F... gw_cdgw_graph.F:200:32: 182 | call ga_brdcst(1038,lvars,2*logs,0) @@ -113480,21 +113436,7 @@ 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)). -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)). +make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol' gw_cdgw_graph.F:326:72: 326 | $ resmat(1:npoints,iqp) ),dim=1)) @@ -113515,6 +113457,21 @@ 35 | double precision timer, timer2, rms3(3), const, nspace | ^ note: 'nspace' was declared here +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_ri_init.F... Compiling gw_invdiag.F... Compiling gw_tools.F... @@ -113529,8 +113486,6 @@ Compiling gw_cdgw_buildrn_graph.F... Compiling gw_cdgw_buildiw.F... Compiling gw_cdgw_buildin_graph.F... -Compiling gw_cdgw_buildpi.F... -Compiling gw_cdgw_buildrn_minres.F... gw_minres.F:96:46: 96 | call gw_aprod(OV1,factor,x,y,-4d0,0d0,npoles,n) @@ -113559,6 +113514,8 @@ 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_buildpi.F... +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) @@ -113587,16 +113544,6 @@ 57 | ISOGW,allocatable,dimension(:,:) :: factor, dfactor | ^ note: 'dfactor.offset' was declared here -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 gw_cdgw_buildpi.F:298:20: 298 | elseif (dorfp) then @@ -113607,6 +113554,16 @@ 40 | logical ok,dorfp | ^ note: 'dorfp' was declared here +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 make[4]: Leaving directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/gwmol' Got lock on /build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libgwmol.lock @@ -113741,8 +113698,8 @@ Compiling util_version.F... Compiling util_nwchem_version.F... Compiling util_scalapack_info.F... -make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' Making all in md5 +make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util' make[3]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' make[4]: Entering directory '/build/reproducible-path/nwchem-7.2.3/build-mpich/src/util/md5' make[3]: Nothing to be done for '/build/reproducible-path/nwchem-7.2.3/build-mpich/lib/LINUX64/libnwcutil.a'. @@ -117339,7 +117296,7 @@ converting tce_mrcc_ao2e.F to 32-bit integers for BLAS/LAPACK converting tce_subnxtask.F to 32-bit integers for BLAS/LAPACK converting tce_mrcc_sublock.F to 32-bit integers for BLAS/LAPACK -Could not open file: tce_mrcc_sublock.F.254050 +Could not open file: tce_mrcc_sublock.F.857460 converting eaf_mrcc.F to 32-bit integers for BLAS/LAPACK converting tce_t3ac_offset.F to 32-bit integers for BLAS/LAPACK converting tce_t4ac_offset.F to 32-bit integers for BLAS/LAPACK @@ -118396,8 +118353,6 @@ create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary dh binary --with python3 -libfakeroot internal error: payload not recognized! -libfakeroot internal error: payload not recognized! dh_testroot dh_prep dh_installdirs @@ -118440,12 +118395,12 @@ make[1]: Leaving directory '/build/reproducible-path/nwchem-7.2.3' dh_md5sums dh_builddeb -dpkg-deb: building package 'nwchem-data' in '../nwchem-data_7.2.3-6_all.deb'. dpkg-deb: building package 'nwchem-openmpi-dbgsym' in '../nwchem-openmpi-dbgsym_7.2.3-6_arm64.deb'. -dpkg-deb: building package 'nwchem-mpich' in '../nwchem-mpich_7.2.3-6_arm64.deb'. dpkg-deb: building package 'nwchem' in '../nwchem_7.2.3-6_all.deb'. -dpkg-deb: building package 'nwchem-mpich-dbgsym' in '../nwchem-mpich-dbgsym_7.2.3-6_arm64.deb'. +dpkg-deb: building package 'nwchem-mpich' in '../nwchem-mpich_7.2.3-6_arm64.deb'. dpkg-deb: building package 'nwchem-openmpi' in '../nwchem-openmpi_7.2.3-6_arm64.deb'. +dpkg-deb: building package 'nwchem-mpich-dbgsym' in '../nwchem-mpich-dbgsym_7.2.3-6_arm64.deb'. +dpkg-deb: building package 'nwchem-data' in '../nwchem-data_7.2.3-6_all.deb'. dpkg-genbuildinfo --build=binary -O../nwchem_7.2.3-6_arm64.buildinfo dpkg-genchanges --build=binary -O../nwchem_7.2.3-6_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -118453,12 +118408,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/1901406/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/1901406/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/497647 and its subdirectories -I: Current time: Thu Dec 11 02:29:57 -12 2025 -I: pbuilder-time-stamp: 1765463397 +I: removing directory /srv/workspace/pbuilder/1901406 and its subdirectories +I: Current time: Sat Nov 9 00:51:59 +14 2024 +I: pbuilder-time-stamp: 1731063119