Input buildinfo: https://buildinfos.debian.net/buildinfo-pool/a/aces3/aces3_3.0.8-8_all.buildinfo Use metasnap for getting required timestamps New buildinfo file: /tmp/aces3-3.0.8-81giduw4e/aces3_3.0.8-8_all.buildinfo Get source package info: aces3=3.0.8-8 Source URL: http://snapshot.notset.fr/mr/package/aces3/3.0.8-8/srcfiles?fileinfo=1 env -i PATH=/usr/sbin:/usr/bin:/sbin:/bin TMPDIR=/tmp mmdebstrap --arch=amd64 --include=adduser=3.118 autoconf=2.71-2 automake=1:1.16.4-2 autopoint=0.21-4 autotools-dev=20180224.1+nmu1 base-files=12 base-passwd=3.5.52 bash=5.1-3+b2 binutils=2.37-7 binutils-common=2.37-7 binutils-x86-64-linux-gnu=2.37-7 bsdextrautils=2.37.2-3 bsdutils=1:2.37.2-3 build-essential=12.9 bzip2=1.0.8-4 coreutils=8.32-4+b1 cpp=4:11.2.0-2 cpp-11=11.2.0-9 csh=20110502-6 dash=0.5.11+git20210120+802ebd4-1 debconf=1.5.77 debhelper=13.5.2 debianutils=5.5-1 dh-autoreconf=20 dh-strip-nondeterminism=1.12.0-1 diffutils=1:3.7-5 dpkg=1.20.9 dpkg-dev=1.20.9 dwz=0.14-1 file=1:5.39-3 findutils=4.8.0-1 g++=4:11.2.0-2 g++-11=11.2.0-9 gcc=4:11.2.0-2 gcc-11=11.2.0-9 gcc-11-base=11.2.0-9 gettext=0.21-4 gettext-base=0.21-4 gfortran=4:11.2.0-2 gfortran-11=11.2.0-9 grep=3.7-1 groff-base=1.22.4-7 gzip=1.10-4 hostname=3.23 ibverbs-providers=36.0-1 init-system-helpers=1.60 intltool-debian=0.35.0+20060710.5 libacl1=2.3.1-1 libarchive-zip-perl=1.68-1 libasan6=11.2.0-9 libatomic1=11.2.0-9 libattr1=1:2.5.1-1 libaudit-common=1:3.0.6-1 libaudit1=1:3.0.6-1 libbinutils=2.37-7 libblas-dev=3.10.0-1 libblas3=3.10.0-1 libblkid1=2.37.2-3 libbsd0=0.11.3-1 libbz2-1.0=1.0.8-4 libc-bin=2.32-4 libc-dev-bin=2.32-4 libc6=2.32-4 libc6-dev=2.32-4 libcap-ng0=0.7.9-2.2+b1 libcap2=1:2.44-1 libcbor0.8=0.8.0-1 libcc1-0=11.2.0-9 libcom-err2=1.46.4-1 libcrypt-dev=1:4.4.25-2 libcrypt1=1:4.4.25-2 libctf-nobfd0=2.37-7 libctf0=2.37-7 libdb5.3=5.3.28+dfsg1-0.8 libdebconfclient0=0.260 libdebhelper-perl=13.5.2 libdpkg-perl=1.20.9 libedit2=3.1-20210910-1 libelf1=0.185-2 libevent-2.1-7=2.1.12-stable-1 libevent-core-2.1-7=2.1.12-stable-1 libevent-dev=2.1.12-stable-1 libevent-extra-2.1-7=2.1.12-stable-1 libevent-openssl-2.1-7=2.1.12-stable-1 libevent-pthreads-2.1-7=2.1.12-stable-1 libfabric1=1.11.0-2 libfido2-1=1.8.0-1+b1 libfile-stripnondeterminism-perl=1.12.0-1 libgcc-11-dev=11.2.0-9 libgcc-s1=11.2.0-9 libgcrypt20=1.9.4-3+b1 libgdbm-compat4=1.21-1 libgdbm6=1.21-1 libgfortran-11-dev=11.2.0-9 libgfortran5=11.2.0-9 libgmp10=2:6.2.1+dfsg-2 libgomp1=11.2.0-9 libgpg-error0=1.42-3 libgssapi-krb5-2=1.18.3-7 libhwloc-dev=2.5.0+dfsg-2 libhwloc-plugins=2.5.0+dfsg-2 libhwloc15=2.5.0+dfsg-2 libibverbs-dev=36.0-1 libibverbs1=36.0-1 libicu67=67.1-7 libisl23=0.24-2 libitm1=11.2.0-9 libjs-jquery=3.5.1+dfsg+~3.5.5-7 libjs-jquery-ui=1.12.1+dfsg-8 libk5crypto3=1.18.3-7 libkeyutils1=1.6.1-2 libkrb5-3=1.18.3-7 libkrb5support0=1.18.3-7 liblapack-dev=3.10.0-1 liblapack3=3.10.0-1 liblsan0=11.2.0-9 libltdl-dev=2.4.6-15 libltdl7=2.4.6-15 liblz4-1=1.9.3-2 liblzma5=5.2.5-2 libmagic-mgc=1:5.39-3 libmagic1=1:5.39-3 libmd0=1.0.4-1 libmount1=2.37.2-3 libmpc3=1.2.0-1 libmpfr6=4.1.0-3 libnl-3-200=3.4.0-1+b1 libnl-3-dev=3.4.0-1+b1 libnl-route-3-200=3.4.0-1+b1 libnl-route-3-dev=3.4.0-1+b1 libnsl-dev=1.3.0-2 libnsl2=1.3.0-2 libnuma-dev=2.0.14-3 libnuma1=2.0.14-3 libopenmpi-dev=4.1.2~rc1-4 libopenmpi3=4.1.2~rc1-4 libpam-modules=1.4.0-10 libpam-modules-bin=1.4.0-10 libpam-runtime=1.4.0-10 libpam0g=1.4.0-10 libpciaccess0=0.16-1 libpcre2-8-0=10.36-2 libpcre3=2:8.39-13 libperl5.32=5.32.1-6 libpipeline1=1.5.3-1 libpmix-dev=4.1.1~rc4-1 libpmix2=4.1.1~rc4-1 libpsm-infinipath1=3.3+20.604758e7-6.1 libpsm2-2=11.2.185-1 libquadmath0=11.2.0-9 librdmacm1=36.0-1 libseccomp2=2.5.2-2 libselinux1=3.1-3 libsemanage-common=3.1-1 libsemanage1=3.1-1+b2 libsepol1=3.1-1 libsigsegv2=2.13-1 libsmartcols1=2.37.2-3 libssl1.1=1.1.1l-1 libstdc++-11-dev=11.2.0-9 libstdc++6=11.2.0-9 libsub-override-perl=0.09-2 libsystemd0=249.5-1 libtinfo6=6.2+20210905-1 libtirpc-common=1.3.2-2 libtirpc-dev=1.3.2-2 libtirpc3=1.3.2-2 libtool=2.4.6-15 libtsan0=11.2.0-9 libubsan1=11.2.0-9 libuchardet0=0.0.7-1 libucx0=1.11.2-1 libudev1=249.5-1 libunistring2=0.9.10-6 libuuid1=2.37.2-3 libx11-6=2:1.7.2-2+b1 libx11-data=2:1.7.2-2 libxau6=1:1.0.9-1 libxcb1=1.14-3 libxdmcp6=1:1.1.2-3 libxext6=2:1.3.4-1 libxml2=2.9.12+dfsg-5 libxnvctrl0=470.57.02-2 libzstd1=1.4.8+dfsg-3 linux-libc-dev=5.14.9-2 login=1:4.8.1-1 lsb-base=11.1.0 m4=1.4.18-5 make=4.3-4.1 man-db=2.9.4-2 mawk=1.3.4.20200120-2 mpi-default-bin=1.14 mpi-default-dev=1.14 ncurses-base=6.2+20210905-1 ncurses-bin=6.2+20210905-1 ocl-icd-libopencl1=2.2.14-3 openmpi-bin=4.1.2~rc1-4 openmpi-common=4.1.2~rc1-4 openssh-client=1:8.4p1-6 passwd=1:4.8.1-1 patch=2.7.6-7 perl=5.32.1-6 perl-base=5.32.1-6 perl-modules-5.32=5.32.1-6 po-debconf=1.0.21+nmu1 rpcsvc-proto=1.4.2-4 sed=4.8-1 sensible-utils=0.0.17 sysvinit-utils=3.00-1 tar=1.34+dfsg-1 util-linux=2.37.2-3 xz-utils=5.2.5-2 zlib1g=1:1.2.11.dfsg-2 zlib1g-dev=1:1.2.11.dfsg-2 --variant=apt --aptopt=Acquire::Check-Valid-Until "false" --aptopt=Acquire::http::Dl-Limit "1000"; --aptopt=Acquire::https::Dl-Limit "1000"; --aptopt=Acquire::Retries "5"; --aptopt=APT::Get::allow-downgrades "true"; --keyring=/usr/share/keyrings/ --essential-hook=chroot "$1" sh -c "apt-get --yes install fakeroot util-linux" --essential-hook=copy-in /usr/share/keyrings/debian-archive-bullseye-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-security-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-stable.gpg /usr/share/keyrings/debian-archive-buster-automatic.gpg /usr/share/keyrings/debian-archive-buster-security-automatic.gpg /usr/share/keyrings/debian-archive-buster-stable.gpg /usr/share/keyrings/debian-archive-keyring.gpg /usr/share/keyrings/debian-archive-removed-keys.gpg /usr/share/keyrings/debian-archive-stretch-automatic.gpg /usr/share/keyrings/debian-archive-stretch-security-automatic.gpg /usr/share/keyrings/debian-archive-stretch-stable.gpg /usr/share/keyrings/debian-ports-archive-keyring-removed.gpg /usr/share/keyrings/debian-ports-archive-keyring.gpg /usr/share/keyrings/debian-keyring.gpg /etc/apt/trusted.gpg.d/ --essential-hook=chroot "$1" sh -c "rm /etc/apt/sources.list && echo 'deb http://snapshot.notset.fr/archive/debian/20211021T025114Z/ bookworm main deb-src http://snapshot.notset.fr/archive/debian/20211021T025114Z/ bookworm main deb http://snapshot.notset.fr/archive/debian/20211103T085255Z/ unstable main deb http://snapshot.notset.fr/archive/debian/20211014T085745Z/ unstable main' >> /etc/apt/sources.list && apt-get update" --customize-hook=chroot "$1" useradd --no-create-home -d /nonexistent -p "" builduser -s /bin/bash --customize-hook=chroot "$1" env sh -c "apt-get source --only-source -d aces3=3.0.8-8 && mkdir -p /build/aces3-YQ2bJK && dpkg-source --no-check -x /*.dsc /build/aces3-YQ2bJK/aces3-3.0.8 && chown -R builduser:builduser /build/aces3-YQ2bJK" --customize-hook=chroot "$1" env --unset=TMPDIR runuser builduser -c "cd /build/aces3-YQ2bJK/aces3-3.0.8 && env DEB_BUILD_OPTIONS="parallel=4" LANG="C.UTF-8" LC_ALL="C.UTF-8" LC_COLLATE="C.UTF-8" SOURCE_DATE_EPOCH="1634307938" DEB_BUILD_OPTIONS=nocheck dpkg-buildpackage -uc -a amd64 --build=all" --customize-hook=sync-out /build/aces3-YQ2bJK /tmp/aces3-3.0.8-81giduw4e bookworm /dev/null deb http://snapshot.notset.fr/archive/debian/20211014T085745Z unstable main I: automatically chosen mode: root I: chroot architecture amd64 is equal to the host's architecture I: automatically chosen format: null I: using /tmp/mmdebstrap.W6CFgOQDos as tempdir I: running apt-get update... I: downloading packages with apt... I: extracting archives... I: installing essential packages... I: running --essential-hook in shell: sh -c 'chroot "$1" sh -c "apt-get --yes install fakeroot util-linux"' exec /tmp/mmdebstrap.W6CFgOQDos Reading package lists... Building dependency tree... util-linux is already the newest version (2.37.2-3). The following NEW packages will be installed: fakeroot libfakeroot 0 upgraded, 2 newly installed, 0 to remove and 0 not upgraded. Need to get 134 kB of archives. After this operation, 397 kB of additional disk space will be used. Get:1 http://snapshot.notset.fr/archive/debian/20211014T085745Z unstable/main amd64 libfakeroot amd64 1.26-1 [47.3 kB] Get:2 http://snapshot.notset.fr/archive/debian/20211014T085745Z unstable/main amd64 fakeroot amd64 1.26-1 [87.1 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 134 kB in 0s (772 kB/s) Selecting previously unselected package libfakeroot:amd64. (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 ... 4667 files and directories currently installed.) Preparing to unpack .../libfakeroot_1.26-1_amd64.deb ... Unpacking libfakeroot:amd64 (1.26-1) ... Selecting previously unselected package fakeroot. Preparing to unpack .../fakeroot_1.26-1_amd64.deb ... Unpacking fakeroot (1.26-1) ... Setting up libfakeroot:amd64 (1.26-1) ... Setting up fakeroot (1.26-1) ... update-alternatives: using /usr/bin/fakeroot-sysv to provide /usr/bin/fakeroot (fakeroot) in auto mode Processing triggers for libc-bin (2.32-4) ... I: running special hook: copy-in /usr/share/keyrings/debian-archive-bullseye-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-security-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-stable.gpg /usr/share/keyrings/debian-archive-buster-automatic.gpg /usr/share/keyrings/debian-archive-buster-security-automatic.gpg /usr/share/keyrings/debian-archive-buster-stable.gpg /usr/share/keyrings/debian-archive-keyring.gpg /usr/share/keyrings/debian-archive-removed-keys.gpg /usr/share/keyrings/debian-archive-stretch-automatic.gpg /usr/share/keyrings/debian-archive-stretch-security-automatic.gpg /usr/share/keyrings/debian-archive-stretch-stable.gpg /usr/share/keyrings/debian-ports-archive-keyring-removed.gpg /usr/share/keyrings/debian-ports-archive-keyring.gpg /usr/share/keyrings/debian-keyring.gpg /etc/apt/trusted.gpg.d/ I: running --essential-hook in shell: sh -c 'chroot "$1" sh -c "rm /etc/apt/sources.list && echo 'deb http://snapshot.notset.fr/archive/debian/20211021T025114Z/ bookworm main deb-src http://snapshot.notset.fr/archive/debian/20211021T025114Z/ bookworm main deb http://snapshot.notset.fr/archive/debian/20211103T085255Z/ unstable main deb http://snapshot.notset.fr/archive/debian/20211014T085745Z/ unstable main' >> /etc/apt/sources.list && apt-get update"' exec /tmp/mmdebstrap.W6CFgOQDos Get:1 http://snapshot.notset.fr/archive/debian/20211021T025114Z bookworm InRelease [128 kB] Get:2 http://snapshot.notset.fr/archive/debian/20211103T085255Z unstable InRelease [165 kB] Hit:3 http://snapshot.notset.fr/archive/debian/20211014T085745Z unstable InRelease Ign:4 http://snapshot.notset.fr/archive/debian/20211021T025114Z bookworm/main Sources Ign:5 http://snapshot.notset.fr/archive/debian/20211021T025114Z bookworm/main amd64 Packages Ign:4 http://snapshot.notset.fr/archive/debian/20211021T025114Z bookworm/main Sources Ign:5 http://snapshot.notset.fr/archive/debian/20211021T025114Z bookworm/main amd64 Packages Ign:4 http://snapshot.notset.fr/archive/debian/20211021T025114Z bookworm/main Sources Ign:5 http://snapshot.notset.fr/archive/debian/20211021T025114Z bookworm/main amd64 Packages Get:4 http://snapshot.notset.fr/archive/debian/20211021T025114Z bookworm/main Sources [11.7 MB] Get:5 http://snapshot.notset.fr/archive/debian/20211021T025114Z bookworm/main amd64 Packages [11.2 MB] Ign:6 http://snapshot.notset.fr/archive/debian/20211103T085255Z unstable/main amd64 Packages Err:6 http://snapshot.notset.fr/archive/debian/20211103T085255Z unstable/main amd64 Packages 404 Not Found [IP: 10.13.0.253 80] Ign:6 http://snapshot.notset.fr/archive/debian/20211103T085255Z unstable/main amd64 Packages Get:6 http://snapshot.notset.fr/archive/debian/20211103T085255Z unstable/main amd64 Packages [11.9 MB] Fetched 35.1 MB in 28s (1247 kB/s) Reading package lists... I: installing remaining packages inside the chroot... I: running --customize-hook in shell: sh -c 'chroot "$1" useradd --no-create-home -d /nonexistent -p "" builduser -s /bin/bash' exec /tmp/mmdebstrap.W6CFgOQDos I: running --customize-hook in shell: sh -c 'chroot "$1" env sh -c "apt-get source --only-source -d aces3=3.0.8-8 && mkdir -p /build/aces3-YQ2bJK && dpkg-source --no-check -x /*.dsc /build/aces3-YQ2bJK/aces3-3.0.8 && chown -R builduser:builduser /build/aces3-YQ2bJK"' exec /tmp/mmdebstrap.W6CFgOQDos Reading package lists... NOTICE: 'aces3' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org:/debichem/aces3 Please use: git clone https://salsa.debian.org:/debichem/aces3 to retrieve the latest (possibly unreleased) updates to the package. Need to get 138 MB of source archives. Get:1 http://snapshot.notset.fr/archive/debian/20211021T025114Z bookworm/main aces3 3.0.8-8 (dsc) [2003 B] Get:2 http://snapshot.notset.fr/archive/debian/20211021T025114Z bookworm/main aces3 3.0.8-8 (tar) [138 MB] Get:3 http://snapshot.notset.fr/archive/debian/20211021T025114Z bookworm/main aces3 3.0.8-8 (diff) [46.4 kB] Fetched 138 MB in 1min 47s (1297 kB/s) Download complete and in download only mode W: Download is performed unsandboxed as root as file 'aces3_3.0.8-8.dsc' couldn't be accessed by user '_apt'. - pkgAcquire::Run (13: Permission denied) dpkg-source: info: extracting aces3 in /build/aces3-YQ2bJK/aces3-3.0.8 dpkg-source: info: unpacking aces3_3.0.8.orig.tar.gz dpkg-source: info: unpacking aces3_3.0.8-8.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying default_directories.patch dpkg-source: info: applying testsuite_input.patch dpkg-source: info: applying makefile_distclean.patch dpkg-source: info: applying testsuite_prepare.patch dpkg-source: info: applying divide-by-zero-error_fix.patch dpkg-source: info: applying exit_impossible_seq_jobs_gracefully.patch dpkg-source: info: applying ignore_invalid_message_type_nind.patch dpkg-source: info: applying fix_format_not_string.patch dpkg-source: info: applying testsuite_quicktests.patch dpkg-source: info: applying fix_binary_characters_in_output.patch dpkg-source: info: applying testsuite_compare.patch dpkg-source: info: applying fix_compile_errors.patch dpkg-source: info: applying fix_autoconf.patch dpkg-source: info: applying fix_read_after_eof.patch dpkg-source: info: applying fix_corrupted_jobabort_variable.patch dpkg-source: info: applying update_version.patch dpkg-source: info: applying mem_alloc.patch dpkg-source: info: applying makefile_show_output.patch dpkg-source: info: applying fix_gfortranbegin.patch I: running --customize-hook in shell: sh -c 'chroot "$1" env --unset=TMPDIR runuser builduser -c "cd /build/aces3-YQ2bJK/aces3-3.0.8 && env DEB_BUILD_OPTIONS="parallel=4" LANG="C.UTF-8" LC_ALL="C.UTF-8" LC_COLLATE="C.UTF-8" SOURCE_DATE_EPOCH="1634307938" DEB_BUILD_OPTIONS=nocheck dpkg-buildpackage -uc -a amd64 --build=all"' exec /tmp/mmdebstrap.W6CFgOQDos dpkg-buildpackage: info: source package aces3 dpkg-buildpackage: info: source version 3.0.8-8 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Alastair McKinstry dpkg-source --before-build . fakeroot debian/rules clean dh clean dh: warning: Compatibility levels before 10 are deprecated (level 7 in use) debian/rules override_dh_auto_clean make[1]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8' (cd src/aces/aces_library/special_directory/dup; if ls *.F_ > /dev/null 2>&1; then for i in *.F_; do mv $i `echo $i | sed s/\_$//`; done; fi) rm -f `find . -name "Makefile.in" | sed s/.in$//` rm -f `find src/aces/aces_sial -name "*.sio"` rm -f config.h dh_auto_clean dh_auto_clean: warning: Compatibility levels before 10 are deprecated (level 7 in use) make[1]: Leaving directory '/build/aces3-YQ2bJK/aces3-3.0.8' dh_clean rm -f debian/debhelper-build-stamp rm -rf debian/.debhelper/ dh_clean: warning: Compatibility levels before 10 are deprecated (level 7 in use) rm -f debian/aces3-data.debhelper.log debian/aces3.debhelper.log rm -f -- debian/aces3.substvars debian/aces3-data.substvars debian/files rm -fr -- debian/aces3/ debian/tmp/ debian/aces3-data/ find . \( \( \ \( -path .\*/.git -o -path .\*/.svn -o -path .\*/.bzr -o -path .\*/.hg -o -path .\*/CVS -o -path .\*/.pc -o -path .\*/_darcs \) -prune -o -type f -a \ \( -name '#*#' -o -name '.*~' -o -name '*~' -o -name DEADJOE \ -o -name '*.orig' -o -name '*.rej' -o -name '*.bak' \ -o -name '.*.orig' -o -name .*.rej -o -name '.SUMS' \ -o -name TAGS -o \( -path '*/.deps/*' -a -name '*.P' \) \ \) -exec rm -f {} + \) -o \ \( -type d -a -name autom4te.cache -prune -exec rm -rf {} + \) \) debian/rules build-indep dh build-indep dh: warning: Compatibility levels before 10 are deprecated (level 7 in use) dh_update_autotools_config -i debian/rules override_dh_auto_configure make[1]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8' (cd src/aces/aces_library/special_directory/dup; for i in `ls *.F | grep -v dsum.F | grep -v elmhes.F | grep -v eltran.F | grep -v hqr.F | grep -v xdcopy.F | grep -v xddot.F | grep -v xdaxpy.F | grep -v xscal.F | grep -v xdnrm2.F | grep -v xdscal.F | grep -v xdswap.F`; do \ mv $i $i\_; \ done) dh_auto_configure -- --enable-gnu \ GNULIBS="-lblas -llapack" \ GNUFLAGS="-L/usr/lib" \ FCFLAGS="-DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch " \ CFLAGS="-DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2" \ CXXFLAGS="-DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2" dh_auto_configure: warning: Compatibility levels before 10 are deprecated (level 7 in use) ./configure --build=x86_64-linux-gnu --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libexecdir=\${prefix}/lib/aces3 --disable-maintainer-mode --disable-dependency-tracking --enable-gnu "GNULIBS=-lblas -llapack" GNUFLAGS=-L/usr/lib "FCFLAGS=-DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch " "CFLAGS=-DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2" "CXXFLAGS=-DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2" checking for mpicc... mpicc checking whether we are using the GNU C compiler... no checking whether mpicc accepts -g... no checking for mpicc option to accept ISO C89... unsupported checking for mpicxx... mpicxx checking whether we are using the GNU C++ compiler... no checking whether mpicxx accepts -g... no ./configure: line 3172: test: syntax error: `-llapack' unexpected checking how to run the C preprocessor... mpicc -E checking for grep that handles long lines and -e... /bin/grep checking for egrep... /bin/grep -E checking for ANSI C header files... no checking for sys/types.h... no checking for sys/stat.h... no checking for stdlib.h... no checking for string.h... no checking for memory.h... no checking for strings.h... no checking for inttypes.h... no checking for stdint.h... no checking for unistd.h... no checking for stdlib.h... (cached) no configure: creating ./config.status config.status: creating Makefile config.status: creating src/main/Makefile config.status: creating src/sial_compiler/compiler/Makefile config.status: creating src/sial_compiler/sial/Makefile config.status: creating src/aces/aces_sial/Makefile config.status: creating src/aces/aces_library/special_directory/oed/Makefile config.status: creating src/aces/aces_library/special_directory/oed_F12/Makefile config.status: creating src/aces/aces_library/special_directory/dup/Makefile config.status: creating src/aces/aces_library/special_directory/ecp/Makefile config.status: creating src/aces/aces_library/special_directory/nlo/Makefile config.status: creating src/aces/aces_library/special_directory/erd/Makefile config.status: creating src/aces/aces_library/special_directory/erd_F12/Makefile config.status: creating src/aces/aces_library/special_directory/direct_integral/Makefile config.status: creating src/aces/aces_library/special_directory/prop_ints/Makefile config.status: creating src/aces/aces_library/special_directory/F12_grid/Makefile config.status: creating src/aces/aces_library/a2driver/symcor/Makefile config.status: creating src/aces/aces_library/a2driver/aces2/Makefile config.status: creating src/aces/aces_library/a2driver/geopt/Makefile config.status: creating src/sia/framelib/Makefile config.status: creating src/sia/manager/Makefile config.status: creating src/sia/sip/aces_instructions/Makefile config.status: creating src/sia/sip/sip_instructions/Makefile config.status: creating src/sia/worker/Makefile config.status: creating src/sia/sip_shared/Makefile config.status: creating test_compare/Makefile config.status: creating config.h make[1]: Leaving directory '/build/aces3-YQ2bJK/aces3-3.0.8' dh_auto_build -i dh_auto_build: warning: Compatibility levels before 10 are deprecated (level 7 in use) make -j1 make[1]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8' make[2]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src' make[3]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces' make[4]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library' make[5]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/a2driver' make[6]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/a2driver/aces2' rm -f make.out make.err mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include aces3_gtflgs.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] aces3_gtflgs.F:343:14: 342 | do i = 1, 16 | 2 343 | nOcc(i,1) = 0 | 1 Warning: Array reference at (1) out of bounds (16 > 8) in loop beginning at (2) aces3_gtflgs.F:348:15: 347 | do i = 1, 2000 | 2 348 | iDrop(i,1) = 0 | 1 Warning: Array reference at (1) out of bounds (2000 > 1000) in loop beginning at (2) aces3_gtflgs.F:356:16: 355 | do i = 1, 16 | 2 356 | EARoot(i,1) = 0 | 1 Warning: Array reference at (1) out of bounds (16 > 8) in loop beginning at (2) aces3_gtflgs.F:357:16: 355 | do i = 1, 16 | 2 356 | EARoot(i,1) = 0 357 | IPRoot(i,1) = 0 | 1 Warning: Array reference at (1) out of bounds (16 > 8) in loop beginning at (2) aces3_gtflgs.F:860:53: 361 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 860 | call iputrec(20,'JOBARC','FDIRREP ',j,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:869:53: 361 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 869 | call iputrec(20,'JOBARC','EESYMINF',j,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:875:53: 361 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 875 | call iputrec(20,'JOBARC','EESYM_A ',8,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:879:53: 361 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 879 | call iputrec(20,'JOBARC','EESYM_B ',8,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:880:53: 361 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 880 | call iputrec(20,'JOBARC','EESYM_C ',8,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:889:53: 361 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 889 | call iputrec(20,'JOBARC','QRHFIRR ',j,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:895:53: 361 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 895 | call iputrec(20,'JOBARC','QRHFLOC ',j,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:901:53: 361 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 901 | call iputrec(20,'JOBARC','QRHFSPN ',j,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:2581:52: 1220 | Call igetrec(0, 'JOBARC', 'HAVEGEOM', i_length, i_havegeom) | 2 ...... 2581 | call igetrec(20,'JOBARC','IPSYM_A ',nIrrps,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:2584:52: 1220 | Call igetrec(0, 'JOBARC', 'HAVEGEOM', i_length, i_havegeom) | 2 ...... 2584 | call igetrec(20,'JOBARC','IPSYM_B ',nIrrps,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:2591:52: 1220 | Call igetrec(0, 'JOBARC', 'HAVEGEOM', i_length, i_havegeom) | 2 ...... 2591 | call igetrec(20,'JOBARC','EASYM_A ',nIrrps,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:2594:52: 1220 | Call igetrec(0, 'JOBARC', 'HAVEGEOM', i_length, i_havegeom) | 2 ...... 2594 | call igetrec(20,'JOBARC','EASYM_B ',nIrrps,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:2615:55: 1220 | Call igetrec(0, 'JOBARC', 'HAVEGEOM', i_length, i_havegeom) | 2 ...... 2615 | call igetrec(20,'JOBARC','FDIRREP ',iTmpReg21,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:2622:55: 1220 | Call igetrec(0, 'JOBARC', 'HAVEGEOM', i_length, i_havegeom) | 2 ...... 2622 | call igetrec(20,'JOBARC','EESYMINF',iTmpReg28,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:2629:55: 1220 | Call igetrec(0, 'JOBARC', 'HAVEGEOM', i_length, i_havegeom) | 2 ...... 2629 | call igetrec(20,'JOBARC','QRHFIRR ',iTmpReg22,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:2642:55: 1220 | Call igetrec(0, 'JOBARC', 'HAVEGEOM', i_length, i_havegeom) | 2 ...... 2642 | call igetrec(20,'JOBARC','QRHFLOC ',iTmpReg25,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:2667:56: 361 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 2667 | call iputrec(20,'JOBARC','IFLAGS ',dim_iflags,ioppar) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) aces3_gtflgs.F:235:56: 235 | integer iLastC, iOpenP, iCloseP, ValueSize, icycle | 1 Warning: Unused variable ‘icycle’ declared at (1) [-Wunused-variable] aces3_gtflgs.F:235:28: 235 | integer iLastC, iOpenP, iCloseP, ValueSize, icycle | 1 Warning: Unused variable ‘iopenp’ declared at (1) [-Wunused-variable] aces3_gtflgs.F:243:56: 243 | & iTmpReg26, iTmpReg27, iTmpReg28, iTmpReg29, iTmpReg30, | 1 Warning: Unused variable ‘itmpreg29’ declared at (1) [-Wunused-variable] aces3_gtflgs.F:243:67: 243 | & iTmpReg26, iTmpReg27, iTmpReg28, iTmpReg29, iTmpReg30, | 1 Warning: Unused variable ‘itmpreg30’ declared at (1) [-Wunused-variable] aces3_gtflgs.F:244:23: 244 | & iTmpReg31, iTmpReg32, iTmpReg33, iTmpReg34, iTmpReg35 | 1 Warning: Unused variable ‘itmpreg31’ declared at (1) [-Wunused-variable] aces3_gtflgs.F:244:34: 244 | & iTmpReg31, iTmpReg32, iTmpReg33, iTmpReg34, iTmpReg35 | 1 Warning: Unused variable ‘itmpreg32’ declared at (1) [-Wunused-variable] aces3_gtflgs.F:244:45: 244 | & iTmpReg31, iTmpReg32, iTmpReg33, iTmpReg34, iTmpReg35 | 1 Warning: Unused variable ‘itmpreg33’ declared at (1) [-Wunused-variable] aces3_gtflgs.F:244:56: 244 | & iTmpReg31, iTmpReg32, iTmpReg33, iTmpReg34, iTmpReg35 | 1 Warning: Unused variable ‘itmpreg34’ declared at (1) [-Wunused-variable] aces3_gtflgs.F:244:67: 244 | & iTmpReg31, iTmpReg32, iTmpReg33, iTmpReg34, iTmpReg35 | 1 Warning: Unused variable ‘itmpreg35’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include aces_exit.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] aces_exit.F:15:31: 15 | subroutine aces_exit(ierr) | 1 Warning: Unused dummy argument ‘ierr’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include aces_init_rte.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] aces_init_rte.F:26:18: 26 | logical bTmp | 1 Warning: Unused variable ‘btmp’ declared at (1) [-Wunused-variable] aces_init_rte.F:24:27: 24 | integer iJOBARC | 1 Warning: Unused variable ‘ijobarc’ declared at (1) [-Wunused-variable] aces_init_rte.F:23:27: 23 | character*80 szJOBARC | 1 Warning: Unused variable ‘szjobarc’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include aces_ja_fin.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] aces_ja_fin.F:27:15: 27 | integer i, iStat | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include aces_ja_init.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] f951: Warning: Nonconforming tab character in column 1 of line 98 [-Wtabs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include angle.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include atoi.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include atomnumb.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] atomnumb.F:117:43: 117 | integer l, i1, i2, f0, f1, r1, r2, r3, r4 | 1 Warning: Unused variable ‘r3’ declared at (1) [-Wunused-variable] atomnumb.F:117:47: 117 | integer l, i1, i2, f0, f1, r1, r2, r3, r4 | 1 Warning: Unused variable ‘r4’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include cdiv.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] cdiv.F:19:24: 19 | double precision s,ars,ais,brs,bis,s_inv | 1 Warning: Unused variable ‘s’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include com_shift.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] com_shift.F:41:72: 41 | 20 MOLWT = MOLWT+ATMASS(I) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include corchr.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include cross.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include dacosx.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include debug_zmat.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] debug_zmat.F:32:36: 32 | integer atoi, linblnk, i, j, k, iatom | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include dgetrec.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] dgetrec.F:36:15: 36 | integer i, iRecLen_int | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include dist.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include dputrec.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] dputrec.F:29:15: 29 | integer i, iRecLen_int | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include eig.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] eig.F:29:29: 29 | subroutine eig(a,b,junk,n,sort) | 1 Warning: Unused dummy argument ‘junk’ at (1) [-Wunused-dummy-argument] eig.F:35:39: 35 | integer i, j, k, index, ierr, lda | 1 Warning: Unused variable ‘lda’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include errex.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include f_getarg.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] f_getarg.F:56:21: 56 | INTTYPE i, i2, i3 | 1 Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable] f_getarg.F:56:25: 56 | INTTYPE i, i2, i3 | 1 Warning: Unused variable ‘i3’ declared at (1) [-Wunused-variable] f_getarg.F:54:23: 54 | integer ndx, ierr | 1 Warning: Unused variable ‘ierr’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include f_strpbrk.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include figio.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include fnblnk.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include gen_cart_coord.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] gen_cart_coord.F:19:34: 19 | double precision scr(natoms) | 1 Warning: Unused variable ‘scr’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include geopt.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include getcrec.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] getcrec.F:47:15: 47 | integer i, iNdx, nLeft, iRecLen | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] getcrec.F:47:21: 47 | integer i, iNdx, nLeft, iRecLen | 1 Warning: Unused variable ‘indx’ declared at (1) [-Wunused-variable] getcrec.F:47:28: 47 | integer i, iNdx, nLeft, iRecLen | 1 Warning: Unused variable ‘nleft’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include getrec.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] getrec.F:138:19: 138 | iRecLen = rsize(iRecNdx) | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] getrec.F:157:16: 157 | iBufNdx = rloc(iRecNdx) | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] getrec.F:56:27: 56 | integer iJOBARC | 1 Warning: Unused variable ‘ijobarc’ declared at (1) [-Wunused-variable] getrec.F:43:39: 43 | subroutine getrec(iFlag,szArchive,szRecName,iRecLen,iDest) | 1 Warning: Unused dummy argument ‘szarchive’ at (1) [-Wunused-dummy-argument] getrec.F:55:27: 55 | character*80 szJOBARC | 1 Warning: Unused variable ‘szjobarc’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include getxyz.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include gfname.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] gfname.F:43:23: 43 | character*1 achar | 1 Warning: Unused variable ‘achar’ declared at (1) [-Wunused-variable] gfname.F:42:20: 42 | integer fnblnk | 1 Warning: Unused variable ‘fnblnk’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include gmetry.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] gmetry.F:84:72: 84 | 19 R(IX)=R(IX)*ATOR | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 19 at (1) gmetry.F:87:72: 87 | 18 R(IX)=R(IX)/ATOB | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 18 at (1) gmetry.F:27:17: 27 | DIMENSION A(3,MXATMS),Q0(3*MXATMS) | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] gmetry.F:26:24: 26 | INTEGER NA(MXATMS),NB(MXATMS),NC(MXATMS) | 1 Warning: Unused variable ‘na’ declared at (1) [-Wunused-variable] gmetry.F:26:35: 26 | INTEGER NA(MXATMS),NB(MXATMS),NC(MXATMS) | 1 Warning: Unused variable ‘nb’ declared at (1) [-Wunused-variable] gmetry.F:26:46: 26 | INTEGER NA(MXATMS),NB(MXATMS),NC(MXATMS) | 1 Warning: Unused variable ‘nc’ declared at (1) [-Wunused-variable] gmetry.F:15:35: 15 | SUBROUTINE GMETRY(We_havegeom, NOSILENT) | 1 Warning: Unused dummy argument ‘we_havegeom’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include igetrec.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] igetrec.F:82:20: 82 | iDest(i) = iDest8(i) | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] igetrec.F:42:55: 42 | call getrec(iFlag,szArchive,szRecName,iRecLen,iDest) | 1 ...... 75 | call getrec(iFlag,szArchive,szRecName,iRecLen,iDest8) | 2 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/INTEGER(8)). igetrec.F:35:15: 35 | integer i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include iputrec.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include iszeq.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include jobarc_query.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include joda_main.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] joda_main.F:22:25: 22 | character*80 BasNam | 1 Warning: Unused variable ‘basnam’ declared at (1) [-Wunused-variable] joda_main.F:19:16: 19 | logical fd, geomopt, num_grad | 1 Warning: Unused variable ‘fd’ declared at (1) [-Wunused-variable] joda_main.F:40:27: 40 | integer genby(mxatms), scratch(mxatms) | 1 Warning: Unused variable ‘genby’ declared at (1) [-Wunused-variable] joda_main.F:19:25: 19 | logical fd, geomopt, num_grad | 1 Warning: Unused variable ‘geomopt’ declared at (1) [-Wunused-variable] joda_main.F:18:22: 18 | integer pass1, i, istat | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] joda_main.F:21:24: 21 | integer iprt, ierr | 1 Warning: Unused variable ‘ierr’ declared at (1) [-Wunused-variable] joda_main.F:21:18: 21 | integer iprt, ierr | 1 Warning: Unused variable ‘iprt’ declared at (1) [-Wunused-variable] joda_main.F:18:29: 18 | integer pass1, i, istat | 1 Warning: Unused variable ‘istat’ declared at (1) [-Wunused-variable] joda_main.F:19:35: 19 | logical fd, geomopt, num_grad | 1 Warning: Unused variable ‘num_grad’ declared at (1) [-Wunused-variable] joda_main.F:18:19: 18 | integer pass1, i, istat | 1 Warning: Unused variable ‘pass1’ declared at (1) [-Wunused-variable] joda_main.F:40:44: 40 | integer genby(mxatms), scratch(mxatms) | 1 Warning: Unused variable ‘scratch’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include joda_post_processing.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] joda_post_processing.F:26:19: 26 | integer dummy, nforcecon | 1 Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable] joda_post_processing.F:26:30: 26 | integer dummy, nforcecon | 1 Warning: Unused variable ‘nforcecon’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include leq.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include linblnk.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mkvmol.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mkvmol.F:906:5: 906 | 8810 IStat = 10 | 1 Warning: Label 8810 at (1) defined but not used [-Wunused-label] mkvmol.F:810:5: 810 | 8000 If(IntTyp.ne.0)Close (LuVMol) | 1 Warning: Label 8000 at (1) defined but not used [-Wunused-label] mkvmol.F:549:4: 549 | 314 If (I.eq.J) Nord(MxAtms+Nontyp) = I - Ibot | 1 Warning: Label 314 at (1) defined but not used [-Wunused-label] mkvmol.F:508:43: 507 | CALL PUTREC(10,'JOBARC','ECPNAM',80*NATMS,ECPNAM) | 2 508 | CALL PUTREC(10,'JOBARC','NATOLD',1,NATMS) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/CHARACTER(*)). mkvmol.F:722:25: 704 | & IntTyp,NullSt,IAtnum(Nord(NStart)), | 2 ...... 722 | & ijunk,ijunk,ijunk,ijunk,seward,bCpBasis,13) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/CHARACTER(*)). mkvmol.F:741:31: 708 | & LuVMol,0,1,IStat,IntTyp,Nullst,IAtnum(Nord(Nstart)), | 2 ...... 741 | & LuVMol,1,1,IStat,ijunk,ijunk,ijunk,ijunk) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/CHARACTER(*)). mkvmol.F:825:48: 788 | CALL IPUTREC(20,'JOBARC','MPVMZMAT',NATOMS,IZLOC) | 2 ...... 825 | CALL IPUTREC(20,'JOBARC','NTOTSHEL',IONE,NTOTSHEL) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mkvmol.F:826:48: 788 | CALL IPUTREC(20,'JOBARC','MPVMZMAT',NATOMS,IZLOC) | 2 ...... 826 | CALL IPUTREC(20,'JOBARC','NTOTPRIM',IONE,NTOTPRIM) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mkvmol.F:732:23: 732 | & (geom(isew),isew=ibotm,ibotm+2) | ^ Warning: ‘ibotm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include normal.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] normal.F:23:72: 23 | 10 Q=Q+X(I)**2 | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1) normal.F:30:72: 30 | 11 X(I)=X(I)/P | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 11 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include parse_int.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] parse_int.F:47:23: 47 | character*1 achar | 1 Warning: Type specified for intrinsic function ‘achar’ at (1) is ignored [-Wsurprising] parse_int.F:45:21: 45 | integer index | 1 Warning: Type specified for intrinsic function ‘index’ at (1) is ignored [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include parse_irp_iarr.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include parse_set_iarr.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include parsez.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include pertable.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include prep_dline_2.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include putcrec.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] putcrec.F:41:20: 41 | integer iachar | 1 Warning: Unused variable ‘iachar’ declared at (1) [-Wunused-variable] putcrec.F:44:21: 44 | integer i, iNdx, nLeft, iRecLen | 1 Warning: Unused variable ‘indx’ declared at (1) [-Wunused-variable] putcrec.F:44:28: 44 | integer i, iNdx, nLeft, iRecLen | 1 Warning: Unused variable ‘nleft’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include putrec.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] putrec.F:141:20: 141 | iRec0 = 1 + (rloc(iRecNdx)-1)/irecwd | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] putrec.F:142:20: 142 | iTmp = rloc(iRecNdx)+iRecLen-1 | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] putrec.F:163:16: 163 | iBufNdx = rloc(iRecNdx) | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] putrec.F:49:27: 49 | integer iJOBARC | 1 Warning: Unused variable ‘ijobarc’ declared at (1) [-Wunused-variable] putrec.F:36:39: 36 | subroutine putrec(iFlag,szArchive,szRecName,iRecLen,iSrc) | 1 Warning: Unused dummy argument ‘szarchive’ at (1) [-Wunused-dummy-argument] putrec.F:48:27: 48 | character*80 szJOBARC | 1 Warning: Unused variable ‘szjobarc’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include qsame.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include rd_intcoord.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] rd_intcoord.F:8:28: 8 | DOUBLE PRECISION DACOS, RINT | 1 Warning: Type specified for intrinsic function ‘dacos’ at (1) is ignored [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include rdbas.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] rdbas.F:176:72: 176 | DO 14 ISHELL=1,NSHELL | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 14 at (1) rdbas.F:78:52: 78 | DIMENSION IFNCSH(MXSHEL),ICNTSH(MXSHEL),COEFMT(MXPRIM*MXCORB) | 1 Warning: Array ‘coefmt’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] rdbas.F:15:63: 15 | SUBROUTINE RDBAS(TITLE,IENTRY,ICONTX,LUVMOL,INTTYP,NULLST, | 1 Warning: Unused dummy argument ‘nullst’ at (1) [-Wunused-dummy-argument] rdbas.F:74:19: 74 | LOGICAL YESNO,seward,cpbasis | 1 Warning: Unused variable ‘yesno’ declared at (1) [-Wunused-variable] rdbas.F:201:72: 201 | SHELLLOC(IOFFSHEL+I-1)=IATOM | ^ Warning: ‘iatom’ may be used uninitialized [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include rdcchr.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include read_zmat_internal_coords.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] read_zmat_internal_coords.F:481:5: 481 | 3431 continue | 1 Warning: Label 3431 at (1) defined but not used [-Wunused-label] read_zmat_internal_coords.F:341:72: 341 | VARNAM(I) = VARTMP(I) | 1 Warning: CHARACTER expression will be truncated in assignment (5/10) at (1) [-Wcharacter-truncation] read_zmat_internal_coords.F:47:30: 47 | CHARACTER*1 achar, czTmp, czPercent, czAsterisk | 1 Warning: Unused variable ‘cztmp’ declared at (1) [-Wunused-variable] read_zmat_internal_coords.F:41:39: 41 | CHARACTER*(linelen) ZLINE, DUMSTR | 1 Warning: Unused variable ‘dumstr’ declared at (1) [-Wunused-variable] read_zmat_internal_coords.F:49:62: 49 | LOGICAL YESNO,BAD123,XYZIN,NWFINDIF,I_UNIQUE(MAXREDUNCO), | 1 Warning: Unused variable ‘i_unique’ declared at (1) [-Wunused-variable] read_zmat_internal_coords.F:46:36: 46 | CHARACTER*4 INTLABEL(3*MXATMS) | 1 Warning: Unused variable ‘intlabel’ declared at (1) [-Wunused-variable] read_zmat_internal_coords.F:42:24: 42 | integer izline(80), izl(2,7) | 1 Warning: Unused variable ‘izline’ declared at (1) [-Wunused-variable] read_zmat_internal_coords.F:43:51: 43 | INTEGER ATOI, TOTREDNCO, TOTNOFBND, TOTNOFANG, TOTNOFDIH | 1 Warning: Unused variable ‘totnofang’ declared at (1) [-Wunused-variable] read_zmat_internal_coords.F:43:40: 43 | INTEGER ATOI, TOTREDNCO, TOTNOFBND, TOTNOFANG, TOTNOFDIH | 1 Warning: Unused variable ‘totnofbnd’ declared at (1) [-Wunused-variable] read_zmat_internal_coords.F:43:62: 43 | INTEGER ATOI, TOTREDNCO, TOTNOFBND, TOTNOFANG, TOTNOFDIH | 1 Warning: Unused variable ‘totnofdih’ declared at (1) [-Wunused-variable] read_zmat_internal_coords.F:43:29: 43 | INTEGER ATOI, TOTREDNCO, TOTNOFBND, TOTNOFANG, TOTNOFDIH | 1 Warning: Unused variable ‘totrednco’ declared at (1) [-Wunused-variable] read_zmat_internal_coords.F:50:44: 50 | & VERY_FIRST_TIME, UNCONSTRAINED | 1 Warning: Unused variable ‘unconstrained’ declared at (1) [-Wunused-variable] read_zmat_internal_coords.F:50:29: 50 | & VERY_FIRST_TIME, UNCONSTRAINED | 1 Warning: Unused variable ‘very_first_time’ declared at (1) [-Wunused-variable] read_zmat_internal_coords.F:49:19: 49 | LOGICAL YESNO,BAD123,XYZIN,NWFINDIF,I_UNIQUE(MAXREDUNCO), | 1 Warning: Unused variable ‘yesno’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include shellinf.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] shellinf.F:103:51: 102 | CALL IPUTREC(20,'JOBARC','FULSHLNM',1,NSHELTOT) | 2 103 | CALL IPUTREC(20,'JOBARC','FULSHLTP',NSHELTOT,ISHELTP2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) shellinf.F:104:51: 102 | CALL IPUTREC(20,'JOBARC','FULSHLNM',1,NSHELTOT) | 2 103 | CALL IPUTREC(20,'JOBARC','FULSHLTP',NSHELTOT,ISHELTP2) 104 | CALL IPUTREC(20,'JOBARC','FULSHLSZ',NSHELTOT,ISHELSZ2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) shellinf.F:39:48: 39 | DIMENSION ISHELTP2(mxatms*mxshel),ISHELSZ2(mxatms*mxshel) | 1 Warning: Array ‘ishelsz2’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] shellinf.F:39:24: 39 | DIMENSION ISHELTP2(mxatms*mxshel),ISHELSZ2(mxatms*mxshel) | 1 Warning: Array ‘isheltp2’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include sqush.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include symeqv.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] symeqv.F:38:48: 37 | CALL IGETREC(20,'JOBARC','COMPNORB',ISIZE,IORBIT) | 2 38 | CALL IGETREC(20,'JOBARC','COMPMEMB',NATMS,MEMBER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) symeqv.F:39:49: 37 | CALL IGETREC(20,'JOBARC','COMPNORB',ISIZE,IORBIT) | 2 38 | CALL IGETREC(20,'JOBARC','COMPMEMB',NATMS,MEMBER) 39 | CALL IGETREC(20,'JOBARC','COMPPOPV',IORBIT,ORBPOP) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include trmblk.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] trmblk.F:23:15: 23 | integer i, fnblnk, linblnk, iStart, iEnd | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include usqush.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include vec.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include wrpbas.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include xtor.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] xtor.F:128:3: 128 | 721 FORMAT(T3,' Internal coordinates generated by XTOR: ') | 1 Warning: Label 721 at (1) defined but not used [-Wunused-label] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include zero.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../aces2/include -I$MPIHOME/include asv_ctl.c asv_ctl.c: In function ‘asv_update_handle’: asv_ctl.c:414:37: warning: format ‘%li’ expects argument of type ‘long int’, but argument 2 has type ‘f_int’ {aka ‘int’} [-Wformat=] 414 | printf("\n ERROR: %li is outside the acceptable interval " | ~~^ | | | long int | %i 415 | "[0,%li]\n",pos,count_strings(handles)-1); | ~~~ | | | f_int {aka int} asv_ctl.c:414:20: warning: format ‘%li’ expects argument of type ‘long int’, but argument 3 has type ‘int’ [-Wformat=] 414 | printf("\n ERROR: %li is outside the acceptable interval " | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 415 | "[0,%li]\n",pos,count_strings(handles)-1); | ~~~~~~~~~~~~~~~~~~~~~~~~ | | | int asv_ctl.c:415:26: note: format string is defined here 415 | "[0,%li]\n",pos,count_strings(handles)-1); | ~~^ | | | long int | %i asv_ctl.c:420:61: warning: format ‘%li’ expects argument of type ‘long int’, but argument 4 has type ‘f_int’ {aka ‘int’} [-Wformat=] 420 | if (bVerbose_Update) printf("'%s' converts to '%s' -> %li\n", | ~~^ | | | long int | %i asv_ctl.c: In function ‘asv_print_’: asv_ctl.c:1194:28: warning: format ‘%li’ expects argument of type ‘long int’, but argument 2 has type ‘f_int’ {aka ‘int’} [-Wformat=] 1194 | printf("ASV[%3li] : ALIAS = %s\n" | ~~~^ | | | long int | %3i ...... 1199 | *plASV, | ~~~~~~ | | | f_int {aka int} asv_ctl.c:1194:20: warning: format ‘%s’ expects argument of type ‘char *’, but argument 5 has type ‘char (*)[16]’ [-Wformat=] 1194 | printf("ASV[%3li] : ALIAS = %s\n" | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ ...... 1201 | ASV_nl[index].oppar, &keyname, | ~~~~~~~~ | | | char (*)[16] asv_ctl.c:1195:46: note: format string is defined here 1195 | " OPPAR = %s (%s)\n" | ~^ | | | char * asv_ctl.c:1194:20: warning: format ‘%li’ expects argument of type ‘long int’, but argument 6 has type ‘f_int’ {aka ‘int’} [-Wformat=] 1194 | printf("ASV[%3li] : ALIAS = %s\n" | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ ...... 1202 | ASV_nl[index].ichar, ichar_types[ASV_nl[index].ichar], | ~~~~~~~~~~~~~~~~~~~ | | | f_int {aka int} asv_ctl.c:1196:43: note: format string is defined here 1196 | " ICHAR = %li (type %s)\n" | ~~^ | | | long int | %i asv_ctl.c:1194:20: warning: format ‘%li’ expects argument of type ‘long int’, but argument 8 has type ‘f_int’ {aka ‘int’} [-Wformat=] 1194 | printf("ASV[%3li] : ALIAS = %s\n" | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ ...... 1203 | ASV_nl[index].ideflt, ASV_nl[index].units, | ~~~~~~~~~~~~~~~~~~~~ | | | f_int {aka int} asv_ctl.c:1197:43: note: format string is defined here 1197 | " IDEFLT = %li %s\n" | ~~^ | | | long int | %i asv_ctl.c:1194:20: warning: format ‘%li’ expects argument of type ‘long int’, but argument 10 has type ‘f_int’ {aka ‘int’} [-Wformat=] 1194 | printf("ASV[%3li] : ALIAS = %s\n" | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ asv_ctl.c:1198:43: note: format string is defined here 1198 | " currently -> %li\n\n", | ~~^ | | | long int | %i asv_ctl.c: In function ‘asv_dump_’: asv_ctl.c:1232:40: warning: format ‘%s’ expects argument of type ‘char *’, but argument 3 has type ‘char (*)[16]’ [-Wformat=] 1232 | printf(" %3i: %20s = %10li [%10li] %s\n", | ~~~^ | | | char * 1233 | iArg+1, &keyname, f_flags.ioppar[iArg], | ~~~~~~~~ | | | char (*)[16] asv_ctl.c:1232:48: warning: format ‘%li’ expects argument of type ‘long int’, but argument 4 has type ‘f_int’ {aka ‘int’} [-Wformat=] 1232 | printf(" %3i: %20s = %10li [%10li] %s\n", | ~~~~^ | | | long int | %10i asv_ctl.c:1232:55: warning: format ‘%li’ expects argument of type ‘long int’, but argument 5 has type ‘f_int’ {aka ‘int’} [-Wformat=] 1232 | printf(" %3i: %20s = %10li [%10li] %s\n", | ~~~~^ | | | long int | %10i 1233 | iArg+1, &keyname, f_flags.ioppar[iArg], 1234 | ASV_nl[iArg].ideflt,ASV_nl[iArg].units | ~~~~~~~~~~~~~~~~~~~ | | | f_int {aka int} asv_ctl.c: In function ‘asv_update_kv_’: asv_ctl.c:1293:9: warning: suggest parentheses around assignment used as truth value [-Wparentheses] 1293 | if (value=strpbrk(kvpair,"=")) | ^~~~~ asv_ctl.c:1342:17: warning: suggest parentheses around assignment used as truth value [-Wparentheses] 1342 | if (cz=strpbrk(value,"}")) | ^~ asv_ctl.c:1357:21: warning: suggest parentheses around assignment used as truth value [-Wparentheses] 1357 | if (cz=getenv(value)) | ^~ asv_ctl.c:1501:64: warning: format ‘%li’ expects argument of type ‘long int’, but argument 2 has type ‘f_int’ {aka ‘int’} [-Wformat=] 1501 | printf("String copy failed, only %li characters" | ~~^ | | | long int | %i 1502 | " copied.\n",*size); | ~~~~~ | | | f_int {aka int} asv_ctl.c:1585:39: warning: format ‘%li’ expects argument of type ‘long int’, but argument 2 has type ‘f_int’ {aka ‘int’} [-Wformat=] 1585 | printf("%li -> ",f_flags.ioppar[var]); | ~~^ | | | long int | %i asv_ctl.c:1588:39: warning: format ‘%li’ expects argument of type ‘long int’, but argument 2 has type ‘f_int’ {aka ‘int’} [-Wformat=] 1588 | printf("%li\n", f_flags.ioppar[var]); | ~~^ | | | long int | %i asv_ctl.c:1597:38: warning: suggest parentheses around assignment used as truth value [-Wparentheses] 1597 | if (s1=strpbrk(value,"d")) *s1='e'; | ^~ asv_ctl.c:1598:38: warning: suggest parentheses around assignment used as truth value [-Wparentheses] 1598 | else if (s1=strpbrk(value,"D")) *s1='E'; | ^~ asv_ctl.c:1606:69: warning: format ‘%i’ expects argument of type ‘int’, but argument 2 has type ‘size_t’ {aka ‘long unsigned int’} [-Wformat=] 1606 | printf("ERROR: Type double expected of %i Bytes, " | ~^ | | | int | %li 1607 | "but destination is only %li Bytes.\n", 1608 | Bytes,*size | ~~~~~ | | | size_t {aka long unsigned int} asv_ctl.c:1606:36: warning: format ‘%li’ expects argument of type ‘long int’, but argument 3 has type ‘f_int’ {aka ‘int’} [-Wformat=] 1606 | printf("ERROR: Type double expected of %i Bytes, " | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 1607 | "but destination is only %li Bytes.\n", 1608 | Bytes,*size | ~~~~~ | | | f_int {aka int} asv_ctl.c:1607:63: note: format string is defined here 1607 | "but destination is only %li Bytes.\n", | ~~^ | | | long int | %i asv_ctl.c: In function ‘str2d_’: asv_ctl.c:1722:8: warning: ‘return’ with a value, in function returning void [-Wreturn-type] 1722 | return 0; | ^ In file included from asv_ctl.c:12: asv_ctl.c:1719:10: note: declared here 1719 | F77_NAME(str2d,STR2D) (const char* sgamma, double *dgamma) | ^~~~~ ../../../../sia/include/f77_name.h:8:35: note: in definition of macro ‘F77_NAME’ 8 | # define F77_NAME(name,NAME) name##_ | ^~~~ asv_ctl.c: In function ‘asv_update_kv_’: asv_ctl.c:1284:5: warning: ‘strncpy’ specified bound 81 equals destination size [-Wstringop-truncation] 1284 | strncpy(kvpair,kvpair0,81); | ^~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../aces2/include -I$MPIHOME/include c_exit.c mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../aces2/include -I$MPIHOME/include c_memmove.c mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../aces2/include -I$MPIHOME/include c_memset.c mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../aces2/include -I$MPIHOME/include c_strncasecmp.c mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../aces2/include -I$MPIHOME/include f_strpbrk_core.c mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../aces2/include -I$MPIHOME/include icopy.c ar rv libaces2.a aces3_gtflgs.o aces_exit.o aces_init_rte.o aces_ja_fin.o aces_ja_init.o angle.o atoi.o atomnumb.o cdiv.o com_shift.o corchr.o cross.o dacosx.o debug_zmat.o dgetrec.o dist.o dputrec.o eig.o errex.o f_getarg.o f_strpbrk.o figio.o fnblnk.o gen_cart_coord.o geopt.o getcrec.o getrec.o getxyz.o gfname.o gmetry.o igetrec.o iputrec.o iszeq.o jobarc_query.o joda_main.o joda_post_processing.o leq.o linblnk.o mkvmol.o normal.o parse_int.o parse_irp_iarr.o parse_set_iarr.o parsez.o pertable.o prep_dline_2.o putcrec.o putrec.o qsame.o rd_intcoord.o rdbas.o rdcchr.o read_zmat_internal_coords.o shellinf.o sqush.o symeqv.o trmblk.o usqush.o vec.o wrpbas.o xtor.o zero.o asv_ctl.o c_exit.o c_memmove.o c_memset.o c_strncasecmp.o f_strpbrk_core.o icopy.o ar: creating libaces2.a a - aces3_gtflgs.o a - aces_exit.o a - aces_init_rte.o a - aces_ja_fin.o a - aces_ja_init.o a - angle.o a - atoi.o a - atomnumb.o a - cdiv.o a - com_shift.o a - corchr.o a - cross.o a - dacosx.o a - debug_zmat.o a - dgetrec.o a - dist.o a - dputrec.o a - eig.o a - errex.o a - f_getarg.o a - f_strpbrk.o a - figio.o a - fnblnk.o a - gen_cart_coord.o a - geopt.o a - getcrec.o a - getrec.o a - getxyz.o a - gfname.o a - gmetry.o a - igetrec.o a - iputrec.o a - iszeq.o a - jobarc_query.o a - joda_main.o a - joda_post_processing.o a - leq.o a - linblnk.o a - mkvmol.o a - normal.o a - parse_int.o a - parse_irp_iarr.o a - parse_set_iarr.o a - parsez.o a - pertable.o a - prep_dline_2.o a - putcrec.o a - putrec.o a - qsame.o a - rd_intcoord.o a - rdbas.o a - rdcchr.o a - read_zmat_internal_coords.o a - shellinf.o a - sqush.o a - symeqv.o a - trmblk.o a - usqush.o a - vec.o a - wrpbas.o a - xtor.o a - zero.o a - asv_ctl.o a - c_exit.o a - c_memmove.o a - c_memset.o a - c_strncasecmp.o a - f_strpbrk_core.o a - icopy.o cp libaces2.a ../../../../../lib/libaces2.a make[6]: Leaving directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/a2driver/aces2' make[6]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/a2driver/geopt' rm -f make.out make.err mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include aces2_joda_main.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] aces2_joda_main.F:187:29: 187 | symcor_ints = symcor_mem_bytes / intsize | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] aces2_joda_main.F:217:31: 217 | symcor_ints = symcor_mem_bytes / intsize | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] aces2_joda_main.F:272:37: 272 | symcor_ints = symcor_mem_bytes / intsize | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] aces2_joda_main.F:358:24: 358 | gentranmat_ints = gentranmat_mem_bytes / intsize | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] aces2_joda_main.F:115:46: 111 | call igetrec(1,'JOBARC','IFLAGS', 100,iflags) | 2 ...... 115 | call igetrec(-1,'JOBARC', 'HAVEGEOM',1, i_havegeom) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aces2_joda_main.F:116:48: 111 | call igetrec(1,'JOBARC','IFLAGS', 100,iflags) | 2 ...... 116 | call igetrec(-1, 'JOBARC', 'POSTOPFD', 1, popt_num_fd) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aces2_joda_main.F:146:53: 111 | call igetrec(1,'JOBARC','IFLAGS', 100,iflags) | 2 ...... 146 | Call igetrec(0,'JOBARC', 'GRADIENT',i_havegrd, ijunk) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aces2_joda_main.F:147:53: 111 | call igetrec(1,'JOBARC','IFLAGS', 100,iflags) | 2 ...... 147 | Call igetrec(0,'JOBARC', 'MANULFDS',i_manfndf, ijunk) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aces2_joda_main.F:176:49: 111 | call igetrec(1,'JOBARC','IFLAGS', 100,iflags) | 2 ...... 176 | call igetrec(1,'JOBARC','FNDFDONE',1,i) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aces2_joda_main.F:188:30: 100 | call mem_alloc(z, memreq, bytes_per_double, ixz, .true., ierr) | 2 ...... 188 | call mem_alloc(iz, symcor_ints, intsize, ixz, .true., | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). aces2_joda_main.F:237:43: 111 | call igetrec(1,'JOBARC','IFLAGS', 100,iflags) | 2 ...... 237 | call igetrec(1,'JOBARC','PASS1',1,pass1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aces2_joda_main.F:260:52: 111 | call igetrec(1,'JOBARC','IFLAGS', 100,iflags) | 2 ...... 260 | call igetrec(1,'JOBARC','JODADONE',1,i) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aces2_joda_main.F:309:52: 111 | call igetrec(1,'JOBARC','IFLAGS', 100,iflags) | 2 ...... 309 | call igetrec(1,'JOBARC','FNDFDONE',1,i) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) aces2_joda_main.F:326:52: 111 | call igetrec(1,'JOBARC','IFLAGS', 100,iflags) | 2 ...... 326 | call igetrec(1,'JOBARC','FNDFDONE',1,i) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ../aces2/include/icore.com:14:16: 14 | common / / icore | 1 Warning: Padding of 4 bytes required before ‘z’ in COMMON at (1); reorder elements or use ‘-fno-align-commons’ [-Walign-commons] aces2_joda_main.F:23:45: 23 | integer pass1, i, i_havegeom, ipost_vib, ilength, ijunk, | 1 Warning: Unused variable ‘ipost_vib’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include adm.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] adm.F:120:72: 120 | DO 12 J = I+1, NATOMS | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 12 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include alongx.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include analyze.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] analyze.F:152:72: 152 | 15 Z1=SCRATCH(3*NATOMS+I)*A(I,J)+Z1 | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 15 at (1) analyze.F:153:72: 153 | 35 SCRATCH(J)=Z1 | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 35 at (1) analyze.F:197:72: 197 | 20 SCRATCH(I)=DABS(SCRATCH(I)) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1) analyze.F:511:72: 511 | 891 IF(VARNAM(ISQUASH(NORD(3*NATOMS+I))).NE.PARNAM(J))IDP=IDP+1 | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 891 at (1) analyze.F:527:2: 527 | 80 FORMAT(3(2X,F20.14)) | 1 Warning: Label 80 at (1) defined but not used [-Wunused-label] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include angmag.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include angs2bohr.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include anlyshes.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] anlyshes.F:178:4: 178 | 10 CONTINUE | 1 Warning: Label 10 at (1) defined but not used [-Wunused-label] anlyshes.F:148:32: 134 | CALL QSTLST_OR_EVEC(LST_TANGENT, GRDMOD, HESMOD, DIAGHES, | 2 ...... 148 | CALL QSTLST_OR_EVEC(QST_TANGENT, GRDMOD, HESMOD, DIAGHES, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). anlyshes.F:151:50: 137 | CALL FOLOWTANGENT(HESMOD, DIAGHES, LST_TANGENT, | 2 ...... 151 | CALL FOLOWTANGENT(HESMOD, DIAGHES, QST_TANGENT, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). anlyshes.F:154:49: 140 | CALL WHAT2FOLLOW(HESMOD, DIAGHES, LST_TANGENT, | 2 ...... 154 | CALL WHAT2FOLLOW(HESMOD, DIAGHES, QST_TANGENT, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). anlyshes.F:20:54: 20 | LOGICAL LST, QST, QSTORLST, QSTLST_CLIMB, FAILED, RX_PR_EXIST | 1 Warning: Unused variable ‘failed’ declared at (1) [-Wunused-variable] anlyshes.F:4:56: 4 | & NCYCLE, INR, IVEC, IMODE, IDIE, TS, | 1 Warning: Unused dummy argument ‘idie’ at (1) [-Wunused-dummy-argument] anlyshes.F:7:31: 7 | & IPRNT) | 1 Warning: Unused dummy argument ‘iprnt’ at (1) [-Wunused-dummy-argument] anlyshes.F:6:46: 6 | & QSTLST_CLIMB, NATOMS, | 1 Warning: Unused dummy argument ‘natoms’ at (1) [-Wunused-dummy-argument] anlyshes.F:83:72: 83 | QSTORLST = (NCYCLE.LE.4.AND.(QST.OR.LST).AND.TS) | ^ Warning: ‘qst’ may be used uninitialized [-Wmaybe-uninitialized] anlyshes.F:20:22: 20 | LOGICAL LST, QST, QSTORLST, QSTLST_CLIMB, FAILED, RX_PR_EXIST | ^ note: ‘qst’ declared here anlyshes.F:83:72: 83 | QSTORLST = (NCYCLE.LE.4.AND.(QST.OR.LST).AND.TS) | ^ Warning: ‘lst’ may be used uninitialized [-Wmaybe-uninitialized] anlyshes.F:20:17: 20 | LOGICAL LST, QST, QSTORLST, QSTLST_CLIMB, FAILED, RX_PR_EXIST | ^ note: ‘lst’ declared here mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include app_cart_constrains.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include archive.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include assign_angles.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] assign_angles.F:74:46: 74 | ELSE IF (IBND2 .EQ. JBND2 .AND. USE2) THEN | ^ Warning: ‘use2’ may be used uninitialized in this function [-Wmaybe-uninitialized] assign_angles.F:59:41: 59 | IF (IBND1 .EQ. JBND1 .AND. USE1) THEN | ^ Warning: ‘use1’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include assign_bonds.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include assign_cnnectvitis.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] assign_cnnectvitis.F:29:19: 29 | INTEGER AATOM, BATOM, VALENCY, iND, IDUM, | 1 Warning: Unused variable ‘aatom’ declared at (1) [-Wunused-variable] assign_cnnectvitis.F:29:26: 29 | INTEGER AATOM, BATOM, VALENCY, iND, IDUM, | 1 Warning: Unused variable ‘batom’ declared at (1) [-Wunused-variable] assign_cnnectvitis.F:30:35: 30 | & JDUM, CONNECTED_ATOMS | 1 Warning: Unused variable ‘connected_atoms’ declared at (1) [-Wunused-variable] assign_cnnectvitis.F:28:18: 28 | LOGICAL FLAG, NOPClFPS, FRAGMENT, CONN_FILE_EXISTS, REGULAR_BND | 1 Warning: Unused variable ‘flag’ declared at (1) [-Wunused-variable] assign_cnnectvitis.F:28:38: 28 | LOGICAL FLAG, NOPClFPS, FRAGMENT, CONN_FILE_EXISTS, REGULAR_BND | 1 Warning: Unused variable ‘fragment’ declared at (1) [-Wunused-variable] assign_cnnectvitis.F:29:46: 29 | INTEGER AATOM, BATOM, VALENCY, iND, IDUM, | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] assign_cnnectvitis.F:29:40: 29 | INTEGER AATOM, BATOM, VALENCY, iND, IDUM, | 1 Warning: Unused variable ‘ind’ declared at (1) [-Wunused-variable] assign_cnnectvitis.F:30:18: 30 | & JDUM, CONNECTED_ATOMS | 1 Warning: Unused variable ‘jdum’ declared at (1) [-Wunused-variable] assign_cnnectvitis.F:35:34: 35 | INTEGER IPRINT,IERR,MAXFRAG,NFRAG_TMP | 1 Warning: Unused variable ‘maxfrag’ declared at (1) [-Wunused-variable] assign_cnnectvitis.F:35:44: 35 | INTEGER IPRINT,IERR,MAXFRAG,NFRAG_TMP | 1 Warning: Unused variable ‘nfrag_tmp’ declared at (1) [-Wunused-variable] assign_cnnectvitis.F:349:72: 349 | THRESHOLD_4NEARST = 2.50D0*SMOFCOVRADI(I_ARCH, J_ARCH) | ^ Warning: ‘j_arch’ may be used uninitialized in this function [-Wmaybe-uninitialized] assign_cnnectvitis.F:349:72: Warning: ‘i_arch’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include assign_dihls.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] assign_dihls.F:16:39: 16 | & TOTNOFANG, NRATMS, TOTNOFDIH, MAXREDUNCO) | 1 Warning: Unused dummy argument ‘totnofang’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include assign_labels.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include assign_xyz_labels.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include bfgs.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include blkcpy.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include bltaotoso.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] bltaotoso.F:1083:50: 1081 | CALL iputrec (20, 'JOBARC', 'MULCINP ', 100, MULNUC) | 2 1082 | CALL iputrec (20, 'JOBARC', 'SYMTYPE ', 3 , ISYTYP) 1083 | CALL iputrec (20, 'JOBARC', 'NOSYMMOP', 1 , NSYMOP) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) bltaotoso.F:1084:50: 1081 | CALL iputrec (20, 'JOBARC', 'MULCINP ', 100, MULNUC) | 2 ...... 1084 | CALL iputrec (20, 'JOBARC', 'NOSYATOM', 1 , NMAX) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) bltaotoso.F:1208:50: 1081 | CALL iputrec (20, 'JOBARC', 'MULCINP ', 100, MULNUC) | 2 ...... 1208 | CALL iputrec(20,'JOBARC','NAOBASFN', 1,NORB) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) bltaotoso.F:15:61: 15 | SUBROUTINE BLTAOTOSO(I2,ITRAN,CUN,CONTUN,CTEMP,NU,NR,AT,KABS, | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] bltaotoso.F:17:60: 17 | & TITLE,JTRAN,A,CTRAN,ICDS,NDEG,CHARGT,X, | 1 Warning: Unused dummy argument ‘chargt’ at (1) [-Wunused-dummy-argument] bltaotoso.F:78:41: 78 | DOUBLE PRECISION CJUNK(MxCBF*MxCBF) | 1 Warning: Array ‘cjunk’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] bltaotoso.F:16:49: 16 | & I1,NXYZ,NUC,NRC,NBAS,CORR,KA,C,JCO,PT, | 1 Warning: Unused dummy argument ‘corr’ at (1) [-Wunused-dummy-argument] bltaotoso.F:16:26: 16 | & I1,NXYZ,NUC,NRC,NBAS,CORR,KA,C,JCO,PT, | 1 Warning: Unused dummy argument ‘i1’ at (1) [-Wunused-dummy-argument] bltaotoso.F:15:29: 15 | SUBROUTINE BLTAOTOSO(I2,ITRAN,CUN,CONTUN,CTEMP,NU,NR,AT,KABS, | 1 Warning: Unused dummy argument ‘i2’ at (1) [-Wunused-dummy-argument] bltaotoso.F:17:48: 17 | & TITLE,JTRAN,A,CTRAN,ICDS,NDEG,CHARGT,X, | 1 Warning: Unused dummy argument ‘icds’ at (1) [-Wunused-dummy-argument] bltaotoso.F:17:53: 17 | & TITLE,JTRAN,A,CTRAN,ICDS,NDEG,CHARGT,X, | 1 Warning: Unused dummy argument ‘ndeg’ at (1) [-Wunused-dummy-argument] bltaotoso.F:18:47: 18 | & IAD,NFUNMX,NHT2,KWD,NH4, | 1 Warning: Unused dummy argument ‘nh4’ at (1) [-Wunused-dummy-argument] bltaotoso.F:15:58: 15 | SUBROUTINE BLTAOTOSO(I2,ITRAN,CUN,CONTUN,CTEMP,NU,NR,AT,KABS, | 1 Warning: Unused dummy argument ‘nr’ at (1) [-Wunused-dummy-argument] bltaotoso.F:15:55: 15 | SUBROUTINE BLTAOTOSO(I2,ITRAN,CUN,CONTUN,CTEMP,NU,NR,AT,KABS, | 1 Warning: Unused dummy argument ‘nu’ at (1) [-Wunused-dummy-argument] bltaotoso.F:17:62: 17 | & TITLE,JTRAN,A,CTRAN,ICDS,NDEG,CHARGT,X, | 1 Warning: Unused dummy argument ‘x’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include bohr2angs.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include build_cmatrix.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] build_cmatrix.F:16:54: 15 | Call IGetrec( 0, "JOBARC", "CONSTRNS", Ilength, Ijunk) | 2 16 | Call IGetrec(20, "JOBARC", "CONSTRNS", Ilength, Constrained) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include buildb.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] buildb.F:76:72: 76 | DO 10 J=0,2 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) buildb.F:78:72: 78 | 10 B0(I,IND(NCON(I),J))=-B0(I,I+J) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1) buildb.F:91:72: 91 | DO 20 J=0,2 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 20 at (1) buildb.F:99:72: 99 | & /(-DSIN(R(I))*DENOM) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1) buildb.F:121:72: 121 | DO 30 J=0,2 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 30 at (1) buildb.F:127:72: 127 | 30 B0(I,ID+J)=-DCXCB(J+1)/(S3*S3*DCD) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1) buildb.F:138:72: 138 | DO 41 J=1,NX | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 41 at (1) buildb.F:139:72: 139 | 41 B(I,J)=B0(I+6,J) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 41 at (1) buildb.F:199:2: 199 | 79 FORMAT((1X,F6.3)) | 1 Warning: Label 79 at (1) defined but not used [-Wunused-label] buildb.F:182:2: 182 | 77 FORMAT((1X,F6.3)) | 1 Warning: Label 77 at (1) defined but not used [-Wunused-label] buildb.F:15:48: 15 | SUBROUTINE BUILDB(B0,B,G,A,BT,SCRATCH,SCR2) | 1 Warning: Unused dummy argument ‘scr2’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include built_angcrd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] built_angcrd.F:32:42: 32 | & VECBA(3), VECBC(3), VECBAD(3), VECN2AC(3), | 1 Warning: Unused variable ‘vecbad’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include built_bgmtrx.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] built_bgmtrx.F:105:3: 105 | 30 CONTINUE | 1 Warning: Label 30 at (1) defined but not used [-Wunused-label] built_bgmtrx.F:23:20: 23 | & BTMP(3*MXATMS, 3*MXATMS), | 1 Warning: Array ‘btmp’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] built_bgmtrx.F:15:45: 15 | LOGICAL TS_SEARCH, MN_SEARCH_EXACT_HESS, CMP_DBMAT | 1 Warning: Unused variable ‘mn_search_exact_hess’ declared at (1) [-Wunused-variable] built_bgmtrx.F:3:39: 3 | & TOTNOFDIH, NRATMS, | 1 Warning: Unused dummy argument ‘totnofdih’ at (1) [-Wunused-dummy-argument] built_bgmtrx.F:15:23: 15 | LOGICAL TS_SEARCH, MN_SEARCH_EXACT_HESS, CMP_DBMAT | 1 Warning: Unused variable ‘ts_search’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include built_bndcrd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include built_dihangcrd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] built_dihangcrd.F:25:44: 25 | DOUBLE PRECISION VECAB , VECBC , VECBA , DEGPI , VECCD | 1 Warning: Unused variable ‘vecba’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include built_langcrd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] built_langcrd.F:17:37: 17 | & EPSILON) | 1 Warning: Unused dummy argument ‘epsilon’ at (1) [-Wunused-dummy-argument] built_langcrd.F:16:42: 16 | & ICON3, ICON4, IANGS, NRATMS, TOTREDNCO, | 1 Warning: Unused dummy argument ‘icon4’ at (1) [-Wunused-dummy-argument] built_langcrd.F:37:42: 37 | & VECZ(3), VECBCX(3), VECBAX(3), VECN2AC(3), | 1 Warning: Unused variable ‘vecbax’ declared at (1) [-Wunused-variable] built_langcrd.F:37:31: 37 | & VECZ(3), VECBCX(3), VECBAX(3), VECN2AC(3), | 1 Warning: Unused variable ‘vecbcx’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include calmoi.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] calmoi.F:17:19: 17 | Dimension COM(3) | 1 Warning: Unused variable ‘com’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include cart2int_hess.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] cart2int_hess.F:38:23: 38 | DIMENSION DIFTEMP(9*MXATMS*MXATMS),FI(TOTREDNCO),PFI(MAXREDUNCO), | 1 Warning: Array ‘diftemp’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] cart2int_hess.F:43:21: 43 | & GMINB(MAXREDUNCO*MAXREDUNCO) | 1 Warning: Array ‘gminb’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] cart2int_hess.F:41:22: 41 | & GMINBT(3*MXATMS*MAXREDUNCO), | 1 Warning: Array ‘gminbt’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] cart2int_hess.F:38:58: 38 | DIMENSION DIFTEMP(9*MXATMS*MXATMS),FI(TOTREDNCO),PFI(MAXREDUNCO), | 1 Warning: Unused variable ‘pfi’ declared at (1) [-Wunused-variable] cart2int_hess.F:42:21: 42 | & TEMP1(MAXREDUNCO*3*MXATMS), | 1 Warning: Array ‘temp1’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include check4_180.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include check_pm_pair.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include chkeck.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] chkeck.F:59:5: 59 | 3456 DO 32 I=1,NRX | 1 Warning: Label 3456 at (1) defined but not used [-Wunused-label] chkeck.F:89:5: 89 | 38 CONTINUE | 1 Warning: Label 38 at (1) defined but not used [-Wunused-label] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include chkint.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include chrtab.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include cmp_angle.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include cnvrt2rad.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include compare.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include compare2.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compare2.F:33:3: 33 | 80 FORMAT(3(1X,F10.5)) | 1 Warning: Label 80 at (1) defined but not used [-Wunused-label] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include compkmat.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include comvec.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include convhess.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include convq.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] convq.F:105:72: 105 | 102 Z=Z+FI(IEQUIV(I,J)) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 102 at (1) convq.F:128:72: 128 | 40 Z=A(I,J)*FI(J)+Z | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include cshiftpri.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include curve.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include dbond.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include dcheck.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include deang.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] deang.F:21:15: 21 | INTEGER A,B,M,O,N,NRATMS,TOTREDNCO,IREDUNCO,MAXREDUNCO,IANGS | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] deang.F:21:17: 21 | INTEGER A,B,M,O,N,NRATMS,TOTREDNCO,IREDUNCO,MAXREDUNCO,IANGS | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] deang.F:16:71: 16 | SUBROUTINE DEANG(CARTCOORD,M,O,N,BMATRX,NRATMS,TOTREDNCO,IREDUNCO, | 1 Warning: Unused dummy argument ‘iredunco’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include delta.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include dfiles.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] dfiles.F:249:49: 248 | call igetrec(1,'JOBARC','IFLAGS',100,iFlags) | 2 249 | call igetrec(1,'JOBARC','DIRTYFLG',1,i) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include dihs.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] dihs.F:21:15: 21 | INTEGER A,B,I,J,TOTREDNCO,M,N,O,P,NRATMS | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] dihs.F:21:17: 21 | INTEGER A,B,I,J,TOTREDNCO,M,N,O,P,NRATMS | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] dihs.F:17:37: 17 | & NRATMS,IREDUNCO,MAXREDUNCO,DERBMAT) | 1 Warning: Unused dummy argument ‘iredunco’ at (1) [-Wunused-dummy-argument] dihs.F:38:60: 38 | IF ((ANGLUW .EQ. 0.0D0 .OR. ANGLUW .GT. 175.0D0) .OR. | ^ Warning: ‘anglwv’ may be used uninitialized [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include domorsexyz_ric.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] domorsexyz_ric.F:34:48: 33 | CALL IGETREC(20, 'JOBARC', 'IBONDTO ', NATOMS*NATOMS, IBNDTO) | 2 34 | CALL IGETREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) domorsexyz_ric.F:35:56: 33 | CALL IGETREC(20, 'JOBARC', 'IBONDTO ', NATOMS*NATOMS, IBNDTO) | 2 34 | CALL IGETREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) 35 | CALL IGETREC(20, 'JOBARC', 'UNIQUEDF', TOTREDNCO, I_UNIQUE) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). domorsexyz_ric.F:20:20: 20 | LOGICAL BONDED | 1 Warning: Unused variable ‘bonded’ declared at (1) [-Wunused-variable] domorsexyz_ric.F:19:34: 19 | INTEGER TOTREDNCO, TOTNOFBND | 1 Warning: Unused variable ‘totnofbnd’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include domorsezmt.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include dosyop.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include dumpcord.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include entry.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] entry.F:73:56: 59 | Call igetrec(0, 'JOBARC', 'HESSIANM', Length, Scr) | 2 ...... 73 | Call igetrec(20, 'JOBARC', 'NREALATM', 1, NATOMS) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include eval_qstlst_path.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] eval_qstlst_path.F:25:49: 25 | DOUBLE PRECISION LST_NORM_SQR, LST_NORM_INV, LST_TANGENT | 1 Warning: Unused variable ‘lst_norm_inv’ declared at (1) [-Wunused-variable] eval_qstlst_path.F:25:35: 25 | DOUBLE PRECISION LST_NORM_SQR, LST_NORM_INV, LST_TANGENT | 1 Warning: Unused variable ‘lst_norm_sqr’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include eval_qstlst_path_ric.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] eval_qstlst_path_ric.F:11:49: 11 | DOUBLE PRECISION LST_NORM_SQR, LST_NORM_INV, LST_TANGENT | 1 Warning: Unused variable ‘lst_norm_inv’ declared at (1) [-Wunused-variable] eval_qstlst_path_ric.F:11:35: 11 | DOUBLE PRECISION LST_NORM_SQR, LST_NORM_INV, LST_TANGENT | 1 Warning: Unused variable ‘lst_norm_sqr’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include eval_qstlst_path_udi.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] eval_qstlst_path_udi.F:11:49: 11 | DOUBLE PRECISION LST_NORM_SQR, LST_NORM_INV, LST_TANGENT | 1 Warning: Unused variable ‘lst_norm_inv’ declared at (1) [-Wunused-variable] eval_qstlst_path_udi.F:11:35: 11 | DOUBLE PRECISION LST_NORM_SQR, LST_NORM_INV, LST_TANGENT | 1 Warning: Unused variable ‘lst_norm_sqr’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include eval_qstlst_path_xyz.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] eval_qstlst_path_xyz.F:10:49: 10 | DOUBLE PRECISION LST_NORM_SQR, LST_NORM_INV, LST_TANGENT | 1 Warning: Unused variable ‘lst_norm_inv’ declared at (1) [-Wunused-variable] eval_qstlst_path_xyz.F:10:35: 10 | DOUBLE PRECISION LST_NORM_SQR, LST_NORM_INV, LST_TANGENT | 1 Warning: Unused variable ‘lst_norm_sqr’ declared at (1) [-Wunused-variable] eval_qstlst_path_xyz.F:11:23: 11 | INTEGER TOTREDNCO | 1 Warning: Unused variable ‘totrednco’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include evec_shift.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] evec_shift.F:22:46: 22 | IF(ABS(EIGEN(I,I)).LT.1.0D-09) ISHIFT=I | ^ Warning: ‘ishift’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include expnd2.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include expnd4.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include f_remove.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include fetchz.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] fetchz.F:627:72: 627 | VARNAM(I) = VARTMP(I) | 1 Warning: CHARACTER expression will be truncated in assignment (5/10) at (1) [-Wcharacter-truncation] fetchz.F:238:24: 211 | CALL IPUTREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) | 2 ...... 238 | & IREDUNCO) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) fetchz.F:243:24: 211 | CALL IPUTREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) | 2 ...... 243 | & IBNDTO) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fetchz.F:257:61: 211 | CALL IPUTREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) | 2 ...... 257 | CALL IPUTREC(20,'JOBARC','PLSMINSP',TOTREDNCO,NCON) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fetchz.F:265:58: 211 | CALL IPUTREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) | 2 ...... 265 | CALL IPUTREC(20,'JOBARC','PLSMINSP',TOTREDNCO,NCON) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fetchz.F:267:24: 211 | CALL IPUTREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) | 2 ...... 267 | & I_UNIQUE) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). fetchz.F:273:24: 88 | CALL IGETREC(1,'JOBARC','FIRSTRUN',1,iTmp) | 2 ...... 273 | & IREDUNCO) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) fetchz.F:299:58: 88 | CALL IGETREC(1,'JOBARC','FIRSTRUN',1,iTmp) | 2 ...... 299 | CALL IGETREC(20,'JOBARC','PLSMINSP',TOTREDNCO,NCON) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fetchz.F:770:49: 88 | CALL IGETREC(1,'JOBARC','FIRSTRUN',1,iTmp) | 2 ...... 770 | call igetrec(0,'JOBARC','RXSTRUCT',J,rtmp) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). fetchz.F:802:55: 211 | CALL IPUTREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) | 2 ...... 802 | CALL IPUTREC(20, 'JOBARC', 'CONCTVTY', 3*NATOMS, NCON) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fetchz.F:803:55: 211 | CALL IPUTREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) | 2 ...... 803 | CALL IPUTREC(20, 'JOBARC', 'ICSQUASH', 3*NATOMS, ISQUASH) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) fetchz.F:33:30: 33 | CHARACTER*1 achar, czTmp, czPercent, czAsterisk | 1 Warning: Unused variable ‘cztmp’ declared at (1) [-Wunused-variable] fetchz.F:27:39: 27 | CHARACTER*(linelen) ZLINE, DUMSTR | 1 Warning: Unused variable ‘dumstr’ declared at (1) [-Wunused-variable] fetchz.F:55:26: 55 | DIMENSION EIGVECTORS(MAXREDUNCO, MAXREDUNCO) | 1 Warning: Array ‘eigvectors’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] fetchz.F:53:41: 53 | & REDUNCO(3*MXATMS), IBNDTO(MXATMS*MXATMS), | 1 Warning: Array ‘ibndto’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] fetchz.F:28:24: 28 | integer izline(80), izl(2,7) | 1 Warning: Unused variable ‘izline’ declared at (1) [-Wunused-variable] fetchz.F:35:19: 35 | LOGICAL YESNO,BAD123,XYZIN,NWFINDIF,I_UNIQUE(MAXREDUNCO), | 1 Warning: Unused variable ‘yesno’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include filter.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include fixori.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include flowevfmin.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] flowevfmin.F:22:39: 22 | IF (LAMBDN .EQ. 0.0D0 .AND. | ^ Warning: ‘lambdn’ may be used uninitialized [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include flowevfts.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] flowevfts.F:2:41: 2 | & LMBDAP, STPMAX, MORSE, IMODE, NX, LUOUT, | 1 Warning: Unused dummy argument ‘stpmax’ at (1) [-Wunused-dummy-argument] flowevfts.F:104:13: 104 | IF (DABS(DENOM) .LT. 1.0D-06) THEN | ^ Warning: ‘denom’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include flowqsdmin.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] flowqsdmin.F:156:5: 156 | 9999 format(1x, 3(f15.8, 1x)) | 1 Warning: Label 9999 at (1) defined but not used [-Wunused-label] flowqsdmin.F:155:4: 155 | 999 format(1x, f15.8) | 1 Warning: Label 999 at (1) defined but not used [-Wunused-label] flowqsdmin.F:23:32: 23 | character*(fnamelen) fname | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] flowqsdmin.F:15:41: 15 | subroutine flowqsdmin(scratch, grad, ehess, eigvh, dmr1, dmr2, | 1 Warning: Unused dummy argument ‘grad’ at (1) [-Wunused-dummy-argument] flowqsdmin.F:16:54: 16 | & stp, eps, nx, ndim, ncycle) | 1 Warning: Unused dummy argument ‘ncycle’ at (1) [-Wunused-dummy-argument] flowqsdmin.F:16:31: 16 | & stp, eps, nx, ndim, ncycle) | 1 Warning: Unused dummy argument ‘stp’ at (1) [-Wunused-dummy-argument] flowqsdmin.F:24:19: 24 | logical yesno, update, nwtonrpson, negeval, genstpsz | 1 Warning: Unused variable ‘yesno’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include flushs.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] flushs.F:88:44: 69 | CALL IPUTREC(20,'JOBARC',FULLAB,ISIZE,IORDER) | 2 ...... 88 | CALL IPUTREC(20,'JOBARC',FULLAB,ISIZE,IPTR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) flushs.F:94:44: 69 | CALL IPUTREC(20,'JOBARC',FULLAB,ISIZE,IORDER) | 2 ...... 94 | CALL IPUTREC(20,'JOBARC',FULLAB,ISIZE,MEMBER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) flushs.F:97:44: 69 | CALL IPUTREC(20,'JOBARC',FULLAB,ISIZE,IORDER) | 2 ...... 97 | CALL IPUTREC(20,'JOBARC',FULLAB,ISIZE,ORBPOP) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) flushs.F:103:44: 69 | CALL IPUTREC(20,'JOBARC',FULLAB,ISIZE,IORDER) | 2 ...... 103 | CALL IPUTREC(20,'JOBARC',FULLAB,ISIZE,CLSTYP) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include folowdflt.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include folowtangent.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] folowtangent.F:2:36: 2 | SUBROUTINE FOLOWTANGENT(HESMOD, DIAGHES, QSTLST_TANGENT, | 1 Warning: Unused dummy argument ‘hesmod’ at (1) [-Wunused-dummy-argument] folowtangent.F:3:37: 3 | & SCRATCH, NX, NOPT, IMODE) | 1 Warning: Unused dummy argument ‘scratch’ at (1) [-Wunused-dummy-argument] folowtangent.F:34:72: 34 | IMODE = MEFOLOW | ^ Warning: ‘mefolow’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include forceout.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include frag__init.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include frag__loop_through.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] frag__loop_through.F:58:28: 58 | INTEGER ONE,BOND,HOT,NEW | 1 Warning: Unused variable ‘bond’ declared at (1) [-Wunused-variable] frag__loop_through.F:63:48: 63 | INTEGER CONNECT (1:NATOMS,1:NATOMS) | 1 Warning: Unused variable ‘connect’ declared at (1) [-Wunused-variable] frag__loop_through.F:57:31: 57 | INTEGER IFRAG,IATOM,ILOC | 1 Warning: Unused variable ‘iatom’ declared at (1) [-Wunused-variable] frag__loop_through.F:7:37: 7 | + IPRINT,IERR, | 1 Warning: Unused dummy argument ‘ierr’ at (1) [-Wunused-dummy-argument] frag__loop_through.F:4:34: 4 | + HOT,IHOT, | 1 Warning: Unused dummy argument ‘ihot’ at (1) [-Wunused-dummy-argument] frag__loop_through.F:57:36: 57 | INTEGER IFRAG,IATOM,ILOC | 1 Warning: Unused variable ‘iloc’ declared at (1) [-Wunused-variable] frag__loop_through.F:7:32: 7 | + IPRINT,IERR, | 1 Warning: Unused dummy argument ‘iprint’ at (1) [-Wunused-dummy-argument] frag__loop_through.F:60:32: 60 | INTEGER NATOMS,LSCR1 | 1 Warning: Unused variable ‘lscr1’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include frag__work.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] frag__work.F:53:36: 53 | INTEGER IFRAG,IATOM,ILOC | 1 Warning: Unused variable ‘iloc’ declared at (1) [-Wunused-variable] frag__work.F:52:25: 52 | INTEGER I,J,K,IHOT,NFRAG | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] frag__work.F:56:32: 56 | INTEGER NATOMS,LSCR1 | 1 Warning: Unused variable ‘lscr1’ declared at (1) [-Wunused-variable] frag__work.F:54:36: 54 | INTEGER ONE,BOND,HOT,NEW | 1 Warning: Unused variable ‘new’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include frmlst.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include gather.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include gen_approx_freq.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include gen_curr_coords.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include gen_new_ric.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] gen_new_ric.F:52:18: 50 | CALL IGETREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) | 2 51 | CALL IGETREC(20, 'JOBARC', 'CONTEVIT', 4*TOTREDNCO, 52 | & IREDUNCO) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) gen_new_ric.F:57:18: 50 | CALL IGETREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) | 2 ...... 57 | & IBNDTO) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gen_new_ric.F:32:46: 32 | DIMENSION CARTCOORD(3*MXATMS), BNDLENTHS(MXATMS, MXATMS), | 1 Warning: Array ‘bndlenths’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] gen_new_ric.F:16:21: 16 | & FRAGSCR | 1 Warning: Array ‘fragscr’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] gen_new_ric.F:34:22: 34 | & IBNDTO(MXATMS*MXATMS), NCONPRCNTR(MXATMS), | 1 Warning: Array ‘ibndto’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] gen_new_ric.F:36:51: 36 | & REDUNCO(MAXREDUNCO), MARK_FRAGMENTS(MXATMS, MXATMS), | 1 Warning: Array ‘mark_fragments’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] gen_new_ric.F:33:49: 33 | & IATOMICNMBER(MXATMS), SMOFCOVRADI(MXATMS, MXATMS), | 1 Warning: Array ‘smofcovradi’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] gen_new_ric.F:38:22: 38 | & VECBAD(3), VECCB(3), VECAB(3), VECCD(3), VECABC(3), | 1 Warning: Unused variable ‘vecbad’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include gen_rednintrnls.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] gen_rednintrnls.F:180:46: 145 | Call IGetrec(0,'JOBARC','PRSTRUCT',Length, Redunco) | 2 ...... 180 | CALL IGETREC(0,'JOBARC','REDNCORD',ITMP,0) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). gen_rednintrnls.F:42:46: 42 | DIMENSION CARTCOORD(3*MXATMS), BNDLENTHS(MXATMS, MXATMS), | 1 Warning: Array ‘bndlenths’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] gen_rednintrnls.F:26:21: 26 | & FRAGSCR | 1 Warning: Array ‘fragscr’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] gen_rednintrnls.F:47:30: 47 | & MARK_FRAGMENTS(MXATMS, MXATMS), | 1 Warning: Array ‘mark_fragments’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] gen_rednintrnls.F:43:49: 43 | & IATOMICNMBER(MXATMS), SMOFCOVRADI(MXATMS, MXATMS), | 1 Warning: Array ‘smofcovradi’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include gen_rics.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] gen_rics.F:19:46: 19 | DIMENSION CARTCOORD(3*MXATMS), BNDLENTHS(MXATMS, MXATMS), | 1 Warning: Unused variable ‘bndlenths’ declared at (1) [-Wunused-variable] gen_rics.F:16:21: 16 | & FRAGSCR | 1 Warning: Unused variable ‘fragscr’ declared at (1) [-Wunused-variable] gen_rics.F:17:26: 17 | LOGICAL TEST_4CHANGE | 1 Warning: Unused variable ‘test_4change’ declared at (1) [-Wunused-variable] gen_rics.F:2:35: 2 | & TOTNOFDIH, IREDUNCO, REDUNCO) | 1 Warning: Unused dummy argument ‘totnofdih’ at (1) [-Wunused-dummy-argument] gen_rics.F:23:22: 23 | & VECBAD(3), VECCB(3), VECAB(3), VECCD(3), VECABC(3), | 1 Warning: Unused variable ‘vecbad’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include gendih.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include genrep.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include genrst.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include gentranmat.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include geomout.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include geopt.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] geopt.F:176:54: 125 | call igetrec(-1,'JOBARC', 'HAVEGEOM', 1, i_havegeom) | 2 ...... 176 | Call igetrec(-1, 'JOBARC', 'CONCTVTY', NX, NCON) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geopt.F:184:58: 125 | call igetrec(-1,'JOBARC', 'HAVEGEOM', 1, i_havegeom) | 2 ...... 184 | Call igetrec(20, 'JOBARC', 'ATOMCHRG', NATOMS, IATNUM) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geopt.F:185:54: 125 | call igetrec(-1,'JOBARC', 'HAVEGEOM', 1, i_havegeom) | 2 ...... 185 | Call igetrec(-1, 'JOBARC', 'ICSQUASH', NX, ISQUASH) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geopt.F:463:55: 125 | call igetrec(-1,'JOBARC', 'HAVEGEOM', 1, i_havegeom) | 2 ...... 463 | Call igetrec(10, 'JOBARC', 'IFLAGS ', 100, IFlags) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geopt.F:466:54: 125 | call igetrec(-1,'JOBARC', 'HAVEGEOM', 1, i_havegeom) | 2 ...... 466 | Call igetrec(-1, 'JOBARC', 'CONCTVTY', NX, NCON) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geopt.F:473:54: 125 | call igetrec(-1,'JOBARC', 'HAVEGEOM', 1, i_havegeom) | 2 ...... 473 | Call igetrec(-1, 'JOBARC', 'ICSQUASH', NX, ISQUASH) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) geopt.F:1411:46: 175 | Call dgetrec(20, "JOBARC", "COORD ", NX, Q) | 2 ...... 1411 | call dgetrec(1,'JOBARC','TOTENERG',ione,TotEng) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) geopt.F:1412:43: 544 | CALL DPUTREC(20,'JOBARC','COMPSYOP',8*9,Z) | 2 ...... 1412 | call dputrec(1,'JOBARC','OLDENERG',1,TotENg) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) geopt.F:29:48: 29 | LOGICAL IGNORE,OPTRES,YESNO, OPTARC_presnt, FCM_EXIST, | 1 Warning: Unused variable ‘optarc_presnt’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include get_covalradii.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include get_mopac_hess.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] get_mopac_hess.F:17:65: 17 | & NX, NXM6, NREAL, NREAL3, NREAL3M6) | 1 Warning: Unused dummy argument ‘nreal3m6’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include geticfcm.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include getlambda.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] getlambda.F:17:34: 17 | & TS, RFA, QSTLST_CLIMB) | 1 Warning: Unused dummy argument ‘rfa’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include getptspqr.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include grpops.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include gschmidt.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] gschmidt.F:1:52: 1 | SUBROUTINE GSCHMIDT(VORTH,NSIZE,NDIM,TMP,RESID) | 1 Warning: Unused dummy argument ‘resid’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include gtflgs.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] gtflgs.F:796:48: 333 | call putrec(1,'JOBARC','STGF12',1,0) | 2 ...... 796 | call putrec(1,'JOBARC','F12GAMMA',1,F12GAMMA) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). gtflgs.F:880:53: 363 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 880 | call iputrec(20,'JOBARC','FDIRREP ',j,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:889:53: 363 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 889 | call iputrec(20,'JOBARC','EESYMINF',j,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:891:53: 363 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 891 | call iputrec(20,'JOBARC','EESYM_A ',8,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:893:53: 363 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 893 | call iputrec(20,'JOBARC','EESYM_B ',8,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:894:53: 363 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 894 | call iputrec(20,'JOBARC','EESYM_C ',8,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:903:53: 363 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 903 | call iputrec(20,'JOBARC','QRHFIRR ',j,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:909:53: 363 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 909 | call iputrec(20,'JOBARC','QRHFLOC ',j,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:915:53: 363 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 915 | call iputrec(20,'JOBARC','QRHFSPN ',j,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:2685:52: 323 | call igetrec(1,'JOBARC','FIRSTRUN',1,iTmpReg1) | 2 ...... 2685 | call igetrec(20,'JOBARC','IPSYM_A ',nIrrps,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:2688:52: 323 | call igetrec(1,'JOBARC','FIRSTRUN',1,iTmpReg1) | 2 ...... 2688 | call igetrec(20,'JOBARC','IPSYM_B ',nIrrps,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:2695:52: 323 | call igetrec(1,'JOBARC','FIRSTRUN',1,iTmpReg1) | 2 ...... 2695 | call igetrec(20,'JOBARC','EASYM_A ',nIrrps,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:2698:52: 323 | call igetrec(1,'JOBARC','FIRSTRUN',1,iTmpReg1) | 2 ...... 2698 | call igetrec(20,'JOBARC','EASYM_B ',nIrrps,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:2719:55: 323 | call igetrec(1,'JOBARC','FIRSTRUN',1,iTmpReg1) | 2 ...... 2719 | call igetrec(20,'JOBARC','FDIRREP ',iTmpReg21,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:2726:55: 323 | call igetrec(1,'JOBARC','FIRSTRUN',1,iTmpReg1) | 2 ...... 2726 | call igetrec(20,'JOBARC','EESYMINF',iTmpReg28,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:2733:55: 323 | call igetrec(1,'JOBARC','FIRSTRUN',1,iTmpReg1) | 2 ...... 2733 | call igetrec(20,'JOBARC','QRHFIRR ',iTmpReg22,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:2746:55: 323 | call igetrec(1,'JOBARC','FIRSTRUN',1,iTmpReg1) | 2 ...... 2746 | call igetrec(20,'JOBARC','QRHFLOC ',iTmpReg25,iArr) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) gtflgs.F:2771:56: 363 | call iputrec(-1,'JOBARC','EA_IRREP',1,nIrr) | 2 ...... 2771 | call iputrec(20,'JOBARC','IFLAGS ',dim_iflags,ioppar) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) ../../../../sia/include/F12.h:3:18: 3 | common /F12/ STGF12, F12GAMMA | 1 Warning: Padding of 4 bytes required before ‘f12gamma’ in COMMON ‘f12’ at (1); reorder elements or use ‘-fno-align-commons’ [-Walign-commons] gtflgs.F:227:45: 227 | & EOM, bGeomOpt, bTDA, bOpenShell | 1 Warning: Unused variable ‘bopenshell’ declared at (1) [-Wunused-variable] gtflgs.F:227:33: 227 | & EOM, bGeomOpt, bTDA, bOpenShell | 1 Warning: Unused variable ‘btda’ declared at (1) [-Wunused-variable] gtflgs.F:239:56: 239 | integer iLastC, iOpenP, iCloseP, ValueSize, icycle | 1 Warning: Unused variable ‘icycle’ declared at (1) [-Wunused-variable] gtflgs.F:239:28: 239 | integer iLastC, iOpenP, iCloseP, ValueSize, icycle | 1 Warning: Unused variable ‘iopenp’ declared at (1) [-Wunused-variable] gtflgs.F:247:56: 247 | & iTmpReg26, iTmpReg27, iTmpReg28, iTmpReg29, iTmpReg30, | 1 Warning: Unused variable ‘itmpreg29’ declared at (1) [-Wunused-variable] gtflgs.F:247:67: 247 | & iTmpReg26, iTmpReg27, iTmpReg28, iTmpReg29, iTmpReg30, | 1 Warning: Unused variable ‘itmpreg30’ declared at (1) [-Wunused-variable] gtflgs.F:248:23: 248 | & iTmpReg31, iTmpReg32, iTmpReg33, iTmpReg34, iTmpReg35 | 1 Warning: Unused variable ‘itmpreg31’ declared at (1) [-Wunused-variable] gtflgs.F:248:34: 248 | & iTmpReg31, iTmpReg32, iTmpReg33, iTmpReg34, iTmpReg35 | 1 Warning: Unused variable ‘itmpreg32’ declared at (1) [-Wunused-variable] gtflgs.F:248:45: 248 | & iTmpReg31, iTmpReg32, iTmpReg33, iTmpReg34, iTmpReg35 | 1 Warning: Unused variable ‘itmpreg33’ declared at (1) [-Wunused-variable] gtflgs.F:248:56: 248 | & iTmpReg31, iTmpReg32, iTmpReg33, iTmpReg34, iTmpReg35 | 1 Warning: Unused variable ‘itmpreg34’ declared at (1) [-Wunused-variable] gtflgs.F:248:67: 248 | & iTmpReg31, iTmpReg32, iTmpReg33, iTmpReg34, iTmpReg35 | 1 Warning: Unused variable ‘itmpreg35’ declared at (1) [-Wunused-variable] gtflgs.F:1572:72: 1572 | & ioppar(h_IOPPAR_ip_calc).ge.4) | ^ Warning: ‘bsteom’ may be used uninitialized [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include hessout.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include hupdate.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] hupdate.F:44:72: 44 | 10 READ(LUARC)TRASH | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include identfy_fragments.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include idnmat.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include idntfy_constraints.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include idntfy_symeqv_atms.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] idntfy_symeqv_atms.F:22:36: 22 | Integer IOrdGp, MAXORDER, I, J | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ifindne.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include image.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] image.F:17:36: 17 | & SCR,IANG,NBAS,SYOP,INORM) | 1 Warning: Unused dummy argument ‘nbas’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include inertia.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] inertia.F:53:72: 53 | DO 100 K=1,NATOMS | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1) inertia.F:56:72: 56 | 100 IT(I,I)=ATMASS(K)*(X1*X1-X2*X2)+IT(I,I) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 100 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include init_ric_heap.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] init_ric_heap.F:31:15: 31 | integer i,sheap_flag | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include initp.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] initp.F:33:72: 33 | 2 K(J+N) = K(J)+1 | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 2 at (1) initp.F:34:72: 34 | 1 N = N + N | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 1 at (1) initp.F:36:72: 36 | 3 PC(I) = DFLOAT(1 - 2*AND(K(I),1)) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 3 at (1) initp.F:17:30: 17 | INTEGER AND,OR,EOR,DSTRT | 1 Warning: Unused variable ‘dstrt’ declared at (1) [-Wunused-variable] initp.F:17:24: 17 | INTEGER AND,OR,EOR,DSTRT | 1 Warning: Unused variable ‘eor’ declared at (1) [-Wunused-variable] initp.F:17:20: 17 | INTEGER AND,OR,EOR,DSTRT | 1 Warning: Unused variable ‘or’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include iorgrp.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include irreps.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include is_connected.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] is_connected.F:269:69: 269 | subroutine check_paths(paths, path_count, natoms, npaths, iatom, | 1 Warning: Unused dummy argument ‘iatom’ at (1) [-Wunused-dummy-argument] is_connected.F:33:36: 33 | integer connectlist(natoms), i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ishell.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ishell.F:21:29: 21 | integer function ishell(string) | ^ Warning: ‘__result_ishell’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include itndf.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include itoa.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include izero.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include jfc1.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] jfc1.F:115:72: 115 | & ,MIN(I-1,JBOT+4)) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 12 at (1) jfc1.F:142:4: 142 | 2001 FORMAT(T3,I3,3F20.10) | 1 Warning: Label 2001 at (1) defined but not used [-Wunused-label] jfc1.F:140:4: 140 | 1003 FORMAT(T7,I3,T20,I3,T33,F10.3,T51,F10.3) | 1 Warning: Label 1003 at (1) defined but not used [-Wunused-label] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include jsd1.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] jsd1.F:115:72: 115 | & ,MIN(I-1,JBOT+4)) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 12 at (1) jsd1.F:142:4: 142 | 2001 FORMAT(T3,I3,3F20.10) | 1 Warning: Label 2001 at (1) defined but not used [-Wunused-label] jsd1.F:140:4: 140 | 1003 FORMAT(T7,I3,T20,I3,T33,F10.3,T51,F10.3) | 1 Warning: Label 1003 at (1) defined but not used [-Wunused-label] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include jso1.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] jso1.F:115:72: 115 | & ,MIN(I-1,JBOT+4)) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 12 at (1) jso1.F:146:4: 146 | 2001 FORMAT(T3,I3,3F20.10) | 1 Warning: Label 2001 at (1) defined but not used [-Wunused-label] jso1.F:144:4: 144 | 1003 FORMAT(T7,I3,T20,I3,T33,F10.3,T51,F10.3) | 1 Warning: Label 1003 at (1) defined but not used [-Wunused-label] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include makgen.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include minv.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] f951: Warning: Nonconforming tab character in column 1 of line 49 [-Wtabs] f951: Warning: Nonconforming tab character in column 1 of line 50 [-Wtabs] minv.F:38:42: 38 | SUBROUTINE MINV(AB,N,LDA,SCRATCH,DET,EPS,M,MODE) | 1 Warning: Unused dummy argument ‘det’ at (1) [-Wunused-dummy-argument] minv.F:38:46: 38 | SUBROUTINE MINV(AB,N,LDA,SCRATCH,DET,EPS,M,MODE) | 1 Warning: Unused dummy argument ‘eps’ at (1) [-Wunused-dummy-argument] minv.F:38:53: 38 | SUBROUTINE MINV(AB,N,LDA,SCRATCH,DET,EPS,M,MODE) | 1 Warning: Unused dummy argument ‘mode’ at (1) [-Wunused-dummy-argument] minv.F:44:38: 44 | DIMENSION AB(LDA,1),SCRATCH(1),X(2) | 1 Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mknddo.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mknddo.F:266:4: 266 | 314 If (I.eq.J) Nord(MxAtms+Nontyp) = I - Ibot | 1 Warning: Label 314 at (1) defined but not used [-Wunused-label] mknddo.F:354:25: 342 | & IntTyp,NullSt,IAtnum(Nord(NStart)), | 2 ...... 354 | & ijunk,ijunk,ijunk,ijunk,seward,.false.,6) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/CHARACTER(*)). mknddo.F:40:31: 40 | character*4 CREF(3),CREFJ | 1 Warning: Unused variable ‘crefj’ declared at (1) [-Wunused-variable] mknddo.F:58:68: 58 | character*(baslen) BasNam(MxAtms),BlnkBN,ScrBas,EcpNam(MxAtms) | 1 Warning: Unused variable ‘ecpnam’ declared at (1) [-Wunused-variable] mknddo.F:26:65: 26 | SUBROUTINE MKNDDO(geom, PTGRP,NATMS,NUNIQUE,ZSYM,ATNR,GENBY, | 1 Warning: Unused dummy argument ‘genby’ at (1) [-Wunused-dummy-argument] mknddo.F:74:19: 74 | Integer OldLu | 1 Warning: Unused variable ‘oldlu’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include modfy_hessian.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include modmatmul.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include morsea.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include msp_psb.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] msp_psb.F:16:26: 16 | SUBROUTINE MSP_PSB(V, H, SCRATCH, STEP, TBT, TOLRNCE, | 1 Warning: Unused dummy argument ‘v’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mtran2.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mtransp.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mxm.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include newraph.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nmr1.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nmr1.F:240:5: 240 | 10012 FORMAT(T4,'CCSD-EH Nuclear Magnetic Resonance Shieldings and ', | 1 Warning: Label 10012 at (1) defined but not used [-Wunused-label] nmr1.F:67:55: 49 | CALL IGETREC(20, 'JOBARC', 'NREALATM', IONE, NREAL) | 2 ...... 67 | CALL IGETREC(20,'JOBARC','DUMSTRIP',NATOMS,NORD) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nrtsrv.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nucrep.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nucrep.F:27:72: 27 | DO 10 J=I+1,NATOMS | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include outerp.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include output.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] output.F:78:72: 78 | DO 10 J=COLLOW,COLHI | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) output.F:99:72: 99 | 2 LAST = MIN0(LAST+KCOL,COLHI) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 2 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include perpop.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] perpop.F:53:11: 53 | IF(ABS(CHECK).LT.SYMTOL)THEN | ^ Warning: ‘check’ may be used uninitialized in this function [-Wmaybe-uninitialized] perpop.F:51:72: 51 | IF(T.EQ.'C')CHECK=ZCOR+ZMATCH | ^ Warning: ‘zmatch’ may be used uninitialized in this function [-Wmaybe-uninitialized] perpop.F:41:13: 41 | IPOS0=(I-1)*3+1 | ^ Warning: ‘ipos0’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include perpop2.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] perpop2.F:53:72: 53 | IF(T.EQ.'P')CHECK=ZCOR-ZMATCH | ^ Warning: ‘zmatch’ may be used uninitialized in this function [-Wmaybe-uninitialized] perpop2.F:54:11: 54 | IF(ABS(CHECK).LT.SYMTOL)THEN | ^ Warning: ‘check’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include piksr2.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include piksr3.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include polyprt.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] polyprt.F:69:46: 65 | CALL DGETREC(20,'JOBARC','COORD' ,3*NATOMS,COORD) | 2 ...... 69 | CALL DGETREC(20,'JOBARC','TOTENERG',1,ENRG) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) polyprt.F:16:61: 16 | SUBROUTINE POLYPRT(COORD,GRAD,HESS,IORDER,NATOMS,IINTFP,IPRINT, | 1 Warning: Unused dummy argument ‘iintfp’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include polyprt0.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] polyprt0.F:21:20: 21 | DIMENSION SCR(3*MXATMS + 3*MXATMS + 9*MXATMS*MXATMS) | 1 Warning: Array ‘scr’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include post_opt_update.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] post_opt_update.F:50:49: 39 | Call igetrec(20, 'JOBARC', 'ZMATATMS', 1, NATOMS) | 2 ...... 50 | Call igetrec(20, 'JOBARC', 'CONCTVTY', NX, NCON) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) post_opt_update.F:57:53: 39 | Call igetrec(20, 'JOBARC', 'ZMATATMS', 1, NATOMS) | 2 ...... 57 | Call igetrec(20, 'JOBARC', 'ATOMCHRG', NATOMS, IATNUM) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) post_opt_update.F:58:49: 39 | Call igetrec(20, 'JOBARC', 'ZMATATMS', 1, NATOMS) | 2 ...... 58 | Call igetrec(20, 'JOBARC', 'ICSQUASH', NX, ISQUASH) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include powel.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include previb.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] previb.F:74:72: 74 | DO 100 I=1,NX | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1) previb.F:75:11: 75 | INK=1+(I-0.1)/3 | 1 Warning: Possible change of value in conversion from REAL(4) to INTEGER(4) at (1) [-Wconversion] previb.F:76:11: 76 | JNK=1+(J-0.1)/3 | 1 Warning: Possible change of value in conversion from REAL(4) to INTEGER(4) at (1) [-Wconversion] previb.F:148:12: 148 | INK=1+(I-0.1)/3 | 1 Warning: Possible change of value in conversion from REAL(4) to INTEGER(4) at (1) [-Wconversion] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include proces_redintrnls.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] proces_redintrnls.F:19:41: 19 | & IPRNT, EPSILON) | 1 Warning: Unused dummy argument ‘iprnt’ at (1) [-Wunused-dummy-argument] proces_redintrnls.F:17:56: 17 | & TOTNOFANG, TOTNOFDIH, TOTREDNCO, | 1 Warning: Unused dummy argument ‘totnofdih’ at (1) [-Wunused-dummy-argument] proces_redintrnls.F:306:72: 306 | NEQ(IOFFSET) = NEQ(IOFFSET) + 1 | ^ Warning: ‘ioffset’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include procestep.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] procestep.F:148:46: 117 | CALL DPUTREC(1,'JOBARC','T_RADIUS',1,BEGN_TRUST_RAD) | 2 ...... 148 | CALL DPUTREC(1,'JOBARC','OLDGEOMT',NXM6,R) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) procestep.F:16:62: 16 | & STEP, STPTOL, STPMAX, IQFIX, ISTCRT, | 1 Warning: Unused dummy argument ‘istcrt’ at (1) [-Wunused-dummy-argument] procestep.F:17:60: 17 | & BEGN_TRUST_RAD, EPS, QSTLST_CLIMB, TS) | 1 Warning: Unused dummy argument ‘qstlst_climb’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include procestep_xyz.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] procestep_xyz.F:137:61: 76 | & TMP1) | 2 ...... 137 | CALL DGETREC(20,'JOBARC','PLSMINSP',NW_TOTREDNCO,NCON) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). procestep_xyz.F:19:47: 19 | DIMENSION SCRATCH(9*NATOMS*NATOMS), IQFIX(3*MXATMS, 3*MXATMS), | 1 Warning: Array ‘iqfix’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] procestep_xyz.F:6:34: 6 | DOUBLE PRECISION ORIENT(3,3) | 1 Warning: Unused variable ‘orient’ declared at (1) [-Wunused-variable] procestep_xyz.F:21:48: 21 | & REDUNCO(MAXREDUNCO), SCRATCH_LCL(4*MAXREDUNCO+6* | 1 Warning: Array ‘scratch_lcl’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] procestep_xyz.F:23:20: 23 | & TMP1(MAXREDUNCO*MAXREDUNCO),TMP2(MAXREDUNCO) | 1 Warning: Array ‘tmp1’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include projdpd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] projdpd.F:15:37: 15 | SUBROUTINE PROJDPD(NATOM,NIRREP,IORDER,ATMASS,DPD,DPDSCR, | 1 Warning: Unused dummy argument ‘nirrep’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include projec_ifc.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] projec_ifc.F:154:45: 25 | & NXM6, GMATRX_N, NXM6, 0.0D0, PMAT, NXM6) | 2 ...... 154 | & NXM6, GRD, NXM6, 0.0D0, GRDTMP, NXM6) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) projec_ifc.F:192:45: 25 | & NXM6, GMATRX_N, NXM6, 0.0D0, PMAT, NXM6) | 2 ...... 192 | & NXM6, GRD, NXM6, 0.0D0, GRDTMP, NXM6) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) projec_ifc.F:18:21: 18 | & GRDTM(NXM6) | 1 Warning: Unused variable ‘grdtm’ declared at (1) [-Wunused-variable] projec_ifc.F:17:30: 17 | & GRD(NXM6), Scr(Maxredunco), Tmp(NXM6, NXm6), | 1 Warning: Unused variable ‘scr’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include project_fc.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] project_fc.F:249:72: 249 | & Totmass | ^ Warning: ‘totmass’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include projfcm.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] projfcm.F:15:37: 15 | SUBROUTINE PROJFCM(NATOM,NIRREP,IORDER,FCM,FCMSCR, | 1 Warning: Unused dummy argument ‘nirrep’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include projpld.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] projpld.F:15:37: 15 | SUBROUTINE PROJPLD(NATOM,NIRREP,IORDER,ATMASS,PLD,PLDSCR, | 1 Warning: Unused dummy argument ‘nirrep’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include qsdline.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] qsdline.F:15:58: 15 | subroutine qsdline(scratch, ehess, eigvh, dmr1, dmr2, unew, | 1 Warning: Unused dummy argument ‘dmr2’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include qsdminorts.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] qsdminorts.F:16:47: 16 | & stp, eps, igts, qsd, nx, ndim, ncycle) | 1 Warning: Unused dummy argument ‘qsd’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include qstlst_or_evec.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] qstlst_or_evec.F:3:51: 3 | & HES, SCRATCH, IMODE, QSTLST_CLIMB) | 1 Warning: Unused dummy argument ‘imode’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include read_cart_constrains.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include read_cntvtes.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include read_ric_constrains.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include readgh.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] readgh.F:60:48: 59 | CALL IGETREC(20,'JOBARC','NREALATM',IONE,NREAL) | 2 60 | CALL IGETREC(20,'JOBARC','MAP2ZMAT',NATOM,IMAP) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include reflect.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] reflect.F:25:72: 25 | DO 10 J=1,3 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) reflect.F:26:72: 26 | 10 SCRATCH(J,I)=A(J,I)*(1.D0-2.D0*IX(IPLANE,J)) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include remove_360.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include resolve.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include retrieve.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include rm_backup.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] rm_backup.F:31:13: 31 | if (iTmp.eq.0) then | ^ Warning: ‘itmp’ may be used uninitialized [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include rotcon.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] rotcon.F:31:72: 31 | DO 10 J=I+1,3 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include rotm.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include savori.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] savori.F:122:5: 122 | 9600 Format (' @SAVORI-W, Unknown point group ',A,'. Using C1') | 1 Warning: Label 9600 at (1) defined but not used [-Wunused-label] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include scatter.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include scopy.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include set_2unit_matrix.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include setd2xyz.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include setup.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] setup.F:1:69: 1 | SUBROUTINE SETUP(HES, GRD, HESMOD, GRDMOD, IQFIX, STPMAX, LUOUT) | 1 Warning: Unused dummy argument ‘luout’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include setxyz.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include siaz.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include sitgrp.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include some_string_func.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include sortc.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] sortc.F:32:72: 32 | 80 X(I)=XX(I) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 80 at (1) sortc.F:40:72: 40 | 82 X(J+I) = -99995. | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 82 at (1) sortc.F:63:72: 63 | 93 X(J)=-99999.D0 | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 93 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include sortxyz.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include squez4.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ssum.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include stdort.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include stptr.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include stripdum.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include subgroup.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include summary.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] summary.F:87:72: 87 | DISTANCE = VARNAM(NOPTI(I)) | 1 Warning: CHARACTER expression will be truncated in assignment (1/5) at (1) [-Wcharacter-truncation] summary.F:181:72: 181 | DISTANCE = VARNAM(INDEX) | 1 Warning: CHARACTER expression will be truncated in assignment (1/5) at (1) [-Wcharacter-truncation] summary.F:319:72: 319 | DISTANCE = VARNAM(INDEX) | 1 Warning: CHARACTER expression will be truncated in assignment (1/5) at (1) [-Wcharacter-truncation] summary.F:155:62: 154 | CALL IGETREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) | 2 155 | CALL IGETREC(20, 'JOBARC', 'UNIQUEDF', TOTREDNCO, I_UNIQUE) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (LOGICAL(4)/INTEGER(4)). summary.F:157:24: 154 | CALL IGETREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) | 2 ...... 157 | & IREDUNCO) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-2) summary.F:350:53: 154 | CALL IGETREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) | 2 ...... 350 | Call igetrec(20, 'JOBARC', 'IFLAGS ', 100, Iflags) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) summary.F:351:53: 154 | CALL IGETREC(20, 'JOBARC', 'REDNCORD', 1, TOTREDNCO) | 2 ...... 351 | Call igetrec(20, 'JOBARC', 'IFLAGS2 ', 500, Iflags2) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) summary.F:31:21: 31 | LOGICAL bDonFil, skip, XYZIN, NWFINDIF, I_UNIQUE(MAXREDUNCO), | 1 Warning: Unused variable ‘bdonfil’ declared at (1) [-Wunused-variable] summary.F:18:46: 18 | & LUOUT, NCYCLE, LUDONE, BMATRIX, | 1 Warning: Unused dummy argument ‘ludone’ at (1) [-Wunused-dummy-argument] summary.F:19:46: 19 | & HES_INTACT, FSCR, VEC, STEP) | 1 Warning: Unused dummy argument ‘vec’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include swpord.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include symdrv.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include symmet2.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include symmetry.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] symmetry.F:73:72: 73 | 20 MOLWT = MOLWT+ATMASS(I) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1) symmetry.F:178:72: 178 | 1451 NEWQ(I)=-NEWQ(I) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 1451 at (1) symmetry.F:281:51: 265 | CALL IPUTREC(20,'JOBARC','LINEAR ',IONE,ILINEAR) | 2 ...... 281 | CALL IPUTREC(20,'JOBARC','COMPMEMB',ISIZE,MEMBER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) symmetry.F:282:51: 265 | CALL IPUTREC(20,'JOBARC','LINEAR ',IONE,ILINEAR) | 2 ...... 282 | CALL IPUTREC(20,'JOBARC','FULLMEMB',ISIZE,MEMBER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) symmetry.F:283:53: 265 | CALL IPUTREC(20,'JOBARC','LINEAR ',IONE,ILINEAR) | 2 ...... 283 | CALL IPUTREC(20,'JOBARC','COMPPERM',ISIZE*8,MEMBER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) symmetry.F:284:53: 265 | CALL IPUTREC(20,'JOBARC','LINEAR ',IONE,ILINEAR) | 2 ...... 284 | CALL IPUTREC(20,'JOBARC','FULLPERM',ISIZE*8,MEMBER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) symmetry.F:290:51: 265 | CALL IPUTREC(20,'JOBARC','LINEAR ',IONE,ILINEAR) | 2 ...... 290 | CALL IPUTREC(20,'JOBARC','COMPPOPV',ISIZE,MEMBER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) symmetry.F:291:51: 265 | CALL IPUTREC(20,'JOBARC','LINEAR ',IONE,ILINEAR) | 2 ...... 291 | CALL IPUTREC(20,'JOBARC','FULLPOPV',ISIZE,MEMBER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) symmetry.F:322:51: 265 | CALL IPUTREC(20,'JOBARC','LINEAR ',IONE,ILINEAR) | 2 ...... 322 | CALL IPUTREC(20,'JOBARC','ZMAT2MOL',ISIZE,MEMBER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) symmetry.F:15:58: 15 | DOUBLE PRECISION IT(3,3),CM(3),IV(3,3),NEWQ(NX),dtmp | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] symmetry.F:19:20: 19 | INTEGER IORGRP, MEMBER(MXATMS) | 1 Warning: Unused variable ‘iorgrp’ declared at (1) [-Wunused-variable] symmetry.F:37:43: 37 | Character*4 FPGrp, BPGrp, PGrp, PTGrp | 1 Warning: Unused variable ‘ptgrp’ declared at (1) [-Wunused-variable] symmetry.F:38:24: 38 | Character*8 TMPGrp | 1 Warning: Unused variable ‘tmpgrp’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include symmetry_auto.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] symmetry_auto.F:164:72: 164 | 1541 IF(DABS(IT(I,I)).LT.SYMTOL)ILINEAR=1 | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 1541 at (1) symmetry_auto.F:311:72: 311 | 14002 SCRATCH(I) = -NEWQ(I) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 14002 at (1) symmetry_auto.F:396:72: 396 | IF(IPRNT.GE.13 .AND. NOSILENT)WRITE(LUOUT,50002)IERR,IAXORD | 1 Warning: Line truncated at (1) [-Wline-truncation] symmetry_auto.F:788:72: 788 | 102 SCRATCH(I) = -NEWQ(I) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 102 at (1) symmetry_auto.F:719:5: 719 | 8001 FORMAT(T3,'@SYMMETRY-I, The molecule belongs to an ', | 1 Warning: Label 8001 at (1) defined but not used [-Wunused-label] symmetry_auto.F:193:61: 184 | & NATOMS, NORD) | 2 ...... 193 | IF (XYZIN) CALL IPUTREC(20, "JOBARC", "HIGHSTAX", 1, IHIGH) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) symmetry_auto.F:1148:47: 184 | & NATOMS, NORD) | 2 ...... 1148 | CALL IPUTREC(20,'JOBARC','LINEAR ',IONE,ILINEAR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) symmetry_auto.F:27:36: 27 | DOUBLE PRECISION IT(3,3),CM(3),IV(3,3),NEWQ(NX),dtmp | 1 Warning: Unused variable ‘cm’ declared at (1) [-Wunused-variable] symmetry_auto.F:41:32: 41 | CHARACTER*(fnamelen) FNAME | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] symmetry_auto.F:27:44: 27 | DOUBLE PRECISION IT(3,3),CM(3),IV(3,3),NEWQ(NX),dtmp | 1 Warning: Unused variable ‘iv’ declared at (1) [-Wunused-variable] symmetry_auto.F:29:42: 29 | DOUBLE PRECISION SCRATCH(3*NX),MOLWT,ORIEN2(9) | 1 Warning: Unused variable ‘molwt’ declared at (1) [-Wunused-variable] symmetry_auto.F:43:30: 43 | LOGICAL YESNO,SAXIS,SKIP,XYZIN,NWFINDIF | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] symmetry_auto.F:73:34: 73 | CHARACTER*(5*MXATMS) ZSYMUNI | 1 Warning: Unused variable ‘zsymuni’ declared at (1) [-Wunused-variable] symmetry_auto.F:341:13: 341 | IF(ABS(X-XREF).LT.SYMTOL)THEN | ^ Warning: ‘xref’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include symunq.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] symunq.F:147:72: 147 | STSYM(I)=SITGRP(PTGRP,IORDGP,ORBPOP(I))//' ' | 1 Warning: CHARACTER expression will be truncated in assignment (8/12) at (1) [-Wcharacter-truncation] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include symunqonly.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include tkstep.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] tkstep.F:43:22: 43 | & ENERGY(2),WORK(6*NX),PMAT(NX*NX) | 1 Warning: Unused variable ‘energy’ declared at (1) [-Wunused-variable] tkstep.F:39:21: 39 | & IQFIX(3*MXATMS,3*MXATMS), DIAGHES(NOPT, NOPT), | 1 Warning: Array ‘iqfix’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] tkstep.F:3:55: 3 | & BMATRIX, HES_INTACT, FSCR, WORK, PMAT, | 1 Warning: Unused dummy argument ‘work’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include transp.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include trnops.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include trust_update.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] trust_update.F:16:46: 16 | SUBROUTINE TRUST_UPDATE(SCRATCH, GRADINT, HESIAN, TRUST_RAD, | 1 Warning: Unused dummy argument ‘gradint’ at (1) [-Wunused-dummy-argument] trust_update.F:16:54: 16 | SUBROUTINE TRUST_UPDATE(SCRATCH, GRADINT, HESIAN, TRUST_RAD, | 1 Warning: Unused dummy argument ‘hesian’ at (1) [-Wunused-dummy-argument] trust_update.F:17:64: 17 | & PRD_ENRG_CHNG, DXDX, EPS, NX, NXM6, NOPT, | 1 Warning: Unused dummy argument ‘nxm6’ at (1) [-Wunused-dummy-argument] trust_update.F:16:37: 16 | SUBROUTINE TRUST_UPDATE(SCRATCH, GRADINT, HESIAN, TRUST_RAD, | 1 Warning: Unused dummy argument ‘scratch’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include tstops.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include twidle.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] twidle.F:104:72: 104 | DO 30 K=1,J-1 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 30 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include unitry.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include vadd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include vecprd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include vib1.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] vib1.F:150:72: 150 | DO 15 J=1,NRX | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 15 at (1) vib1.F:200:72: 200 | 25 H(I,I)=DSQRT(DABS(H(I,I)))*5.14048D03 | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 25 at (1) vib1.F:888:72: 888 | 102 IOR=IOR+MAX0(KA(I,Kk),KA(J,Kk))*2**(Kk-1) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 102 at (1) vib1.F:460:4: 460 | 900 IBOT=1 | 1 Warning: Label 900 at (1) defined but not used [-Wunused-label] vib1.F:323:51: 90 | call igetrec(-1, 'JOBARC', '12SWITCH', ione, ibad) | 2 ...... 323 | CALL IGETREC(20,'JOBARC','DUMSTRIP',NATOMS,NORD) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) vib1.F:16:55: 16 | & POLDER,POLTMP,RINT,RDPL,NRX,IPROJ,SCR2) | 1 Warning: Unused dummy argument ‘iproj’ at (1) [-Wunused-dummy-argument] vib1.F:398:11: 398 | IF (POLDER_EXIST) THEN | ^ Warning: ‘polder_exist’ may be used uninitialized [-Wmaybe-uninitialized] vib1.F:43:52: 43 | LOGICAL YESNO,DIPOLE,READIS,RAMAN,POLDER_EXIST, | ^ note: ‘polder_exist’ declared here mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include vminus.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include vstat.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] vstat.F:37:72: 37 | 20 U=U+V(I)*V(I) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include what2follow.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] what2follow.F:44:72: 44 | IMODE = MEFOLOW | ^ Warning: ‘mefolow’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include write_warn_log.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include xcopy.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] xcopy.F:22:22: 22 | F_ADR c_adr, z | 1 Warning: Unused variable ‘z’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include xdot.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] xdot.F:27:72: 27 | if (n.le.0) return | ^ Warning: ‘__result_xdot’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include xgemm.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include xtrace.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../aces2/include -I$MPIHOME/include aces_malloc.c aces_malloc.c: In function ‘aces_malloc_’: aces_malloc.c:77:28: warning: format ‘%ld’ expects argument of type ‘long int’, but argument 2 has type ‘long long int’ [-Wformat=] 77 | printf("ACES_MALLOC: %ld f_ints were requested.\n",*fiInts); | ~~^ ~~~~~~~ | | | | long int long long int | %lld aces_malloc.c:78:27: warning: format ‘%d’ expects argument of type ‘int’, but argument 2 has type ‘long unsigned int’ [-Wformat=] 78 | printf("sizeof(long) %d\n",sizeof(long)); | ~^ ~~~~~~~~~~~~ | | | | int long unsigned int | %ld aces_malloc.c:79:32: warning: format ‘%d’ expects argument of type ‘int’, but argument 2 has type ‘long unsigned int’ [-Wformat=] 79 | printf("sizeof(long long) %d\n",sizeof(long long)); | ~^ ~~~~~~~~~~~~~~~~~ | | | | int long unsigned int | %ld aces_malloc.c:80:26: warning: format ‘%d’ expects argument of type ‘int’, but argument 2 has type ‘long unsigned int’ [-Wformat=] 80 | printf("sizeof(int) %d\n",sizeof(int)); | ~^ ~~~~~~~~~~~ | | | | int long unsigned int | %ld aces_malloc.c:104:18: warning: cast from pointer to integer of different size [-Wpointer-to-int-cast] 104 | *lCore = (f_int)pHeap; /* assign the heap address for freeing */ | ^ aces_malloc.c:117:30: warning: format ‘%d’ expects argument of type ‘int’, but argument 2 has type ‘long long int’ [-Wformat=] 117 | printf(" %d f_ints were allocated\n",*fiInts); | ~^ ~~~~~~~ | | | | int long long int | %lld aces_malloc.c:139:13: warning: cast to pointer from integer of different size [-Wint-to-pointer-cast] 139 | if ((void *)*lCore != pHeap) | ^ aces_malloc.c:146:21: warning: cast to pointer from integer of different size [-Wint-to-pointer-cast] 146 | (void *)*lCore,(long)*lCore, | ^ aces_malloc.c:157:16: warning: cast from pointer to integer of different size [-Wpointer-to-int-cast] 157 | *heapptr = (f_adr) pHeap; | ^ aces_malloc.c:157:14: warning: assignment to ‘f_adr *’ {aka ‘int *’} from ‘int’ makes pointer from integer without a cast [-Wint-conversion] 157 | *heapptr = (f_adr) pHeap; | ^ mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../aces2/include -I$MPIHOME/include c_adr.c c_adr.c: In function ‘c_adr’: c_adr.c:25:10: warning: cast from pointer to integer of different size [-Wpointer-to-int-cast] 25 | { return (f_adr)n; } | ^ c_adr.c: In function ‘c_adr_’: c_adr.c:28:10: warning: cast from pointer to integer of different size [-Wpointer-to-int-cast] 28 | { return (f_adr)n; } | ^ c_adr.c: In function ‘C_ADR’: c_adr.c:31:10: warning: cast from pointer to integer of different size [-Wpointer-to-int-cast] 31 | { return (f_adr)n; } | ^ mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../aces2/include -I$MPIHOME/include c_free.c c_free.c: In function ‘c_free_’: c_free.c:40:24: warning: format ‘%p’ expects argument of type ‘void *’, but argument 2 has type ‘f_adr’ {aka ‘int’} [-Wformat=] 40 | { printf("C_FREE: n = %p\n",*n); free((void *)*n); return; } | ~^ ~~ | | | | | f_adr {aka int} | void * | %d c_free.c:40:39: warning: cast to pointer from integer of different size [-Wint-to-pointer-cast] 40 | { printf("C_FREE: n = %p\n",*n); free((void *)*n); return; } | ^ mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../aces2/include -I$MPIHOME/include c_system.c mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../aces2/include -I$MPIHOME/include coarse_backup.c coarse_backup.c: In function ‘coarse_backup_’: coarse_backup.c:142:9: warning: unused variable ‘szBuf’ [-Wunused-variable] 142 | char szBuf[BUFLEN], szFile[FILLEN], szFileOut[FILLEN]; | ^~~~~ coarse_backup.c:44:25: warning: unused variable ‘szCmd’ [-Wunused-variable] 44 | char szSaveDir[80], szCmd[CMDLEN], szCurrent[CURLEN], szOld[OLDLEN]; | ^~~~~ coarse_backup.c:45:10: warning: ‘strncpy’ specified bound 80 equals destination size [-Wstringop-truncation] 45 | if (!strncpy(szSaveDir,szSaveDirIn,80)) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ coarse_backup.c:90:48: warning: ‘%s’ directive output may be truncated writing up to 127 bytes into a region of size 80 [-Wformat-truncation=] 90 | snprintf(&szFileOld[0],FILLEN,"%s/%s",szOld,coarse_precious[i]); | ^~ ~~~~~ coarse_backup.c:90:47: note: assuming directive output of 8 bytes 90 | snprintf(&szFileOld[0],FILLEN,"%s/%s",szOld,coarse_precious[i]); | ^~~~~~~ coarse_backup.c:90:17: note: ‘snprintf’ output 2 or more bytes (assuming 137) into a destination of size 80 90 | snprintf(&szFileOld[0],FILLEN,"%s/%s",szOld,coarse_precious[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ coarse_backup.c:116:48: warning: ‘%s’ directive output may be truncated writing up to 127 bytes into a region of size 80 [-Wformat-truncation=] 116 | snprintf(&szFileOld[0],FILLEN,"%s/%s",szOld,coarse_precious[i]); | ^~ ~~~~~ coarse_backup.c:116:47: note: assuming directive output of 8 bytes 116 | snprintf(&szFileOld[0],FILLEN,"%s/%s",szOld,coarse_precious[i]); | ^~~~~~~ coarse_backup.c:116:17: note: ‘snprintf’ output 2 or more bytes (assuming 137) into a destination of size 80 116 | snprintf(&szFileOld[0],FILLEN,"%s/%s",szOld,coarse_precious[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ coarse_backup.c:117:48: warning: ‘%s’ directive output may be truncated writing up to 127 bytes into a region of size 80 [-Wformat-truncation=] 117 | snprintf(&szFileCur[0],FILLEN,"%s/%s",szCurrent,coarse_precious[i]); | ^~ ~~~~~~~~~ coarse_backup.c:117:47: note: assuming directive output of 8 bytes 117 | snprintf(&szFileCur[0],FILLEN,"%s/%s",szCurrent,coarse_precious[i]); | ^~~~~~~ coarse_backup.c:117:17: note: ‘snprintf’ output 2 or more bytes (assuming 137) into a destination of size 80 117 | snprintf(&szFileCur[0],FILLEN,"%s/%s",szCurrent,coarse_precious[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ coarse_backup.c:152:48: warning: ‘%s’ directive output may be truncated writing up to 127 bytes into a region of size 80 [-Wformat-truncation=] 152 | snprintf(&szFileOut[0],FILLEN,"%s/%s",szCurrent,coarse_precious[i]); | ^~ ~~~~~~~~~ coarse_backup.c:152:47: note: assuming directive output of 8 bytes 152 | snprintf(&szFileOut[0],FILLEN,"%s/%s",szCurrent,coarse_precious[i]); | ^~~~~~~ coarse_backup.c:152:17: note: ‘snprintf’ output 2 or more bytes (assuming 137) into a destination of size 80 152 | snprintf(&szFileOut[0],FILLEN,"%s/%s",szCurrent,coarse_precious[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ coarse_backup.c:182:48: warning: ‘%s’ directive output may be truncated writing up to 127 bytes into a region of size 80 [-Wformat-truncation=] 182 | snprintf(&szFileOld[0],FILLEN,"%s/%s",szOld,coarse_precious[i]); | ^~ ~~~~~ coarse_backup.c:182:47: note: assuming directive output of 8 bytes 182 | snprintf(&szFileOld[0],FILLEN,"%s/%s",szOld,coarse_precious[i]); | ^~~~~~~ coarse_backup.c:182:17: note: ‘snprintf’ output 2 or more bytes (assuming 137) into a destination of size 80 182 | snprintf(&szFileOld[0],FILLEN,"%s/%s",szOld,coarse_precious[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../aces2/include -I$MPIHOME/include coarse_restore.c coarse_restore.c: In function ‘coarse_restore_’: coarse_restore.c:77:23: warning: unused variable ‘szBuf’ [-Wunused-variable] 77 | int i=0; char szBuf[BUFLEN], szFile[FILLEN], szFileBak[FILLEN]; | ^~~~~ coarse_restore.c:43:10: warning: ‘strncpy’ specified bound 80 equals destination size [-Wstringop-truncation] 43 | if (!strncpy(szSaveDir,szSaveDirIn,80)) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ coarse_restore.c:88:48: warning: ‘%s’ directive output may be truncated writing up to 127 bytes into a region of size 80 [-Wformat-truncation=] 88 | snprintf(&szFileBak[0],FILLEN,"%s/%s",szBak,coarse_precious[i]); | ^~ ~~~~~ coarse_restore.c:88:47: note: assuming directive output of 8 bytes 88 | snprintf(&szFileBak[0],FILLEN,"%s/%s",szBak,coarse_precious[i]); | ^~~~~~~ coarse_restore.c:88:17: note: ‘snprintf’ output 2 or more bytes (assuming 137) into a destination of size 80 88 | snprintf(&szFileBak[0],FILLEN,"%s/%s",szBak,coarse_precious[i]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../aces2/include -I$MPIHOME/include f_remove_core.c ar rv libgeopt.a aces2_joda_main.o adm.o alongx.o analyze.o angmag.o angs2bohr.o anlyshes.o app_cart_constrains.o archive.o assign_angles.o assign_bonds.o assign_cnnectvitis.o assign_dihls.o assign_labels.o assign_xyz_labels.o bfgs.o blkcpy.o bltaotoso.o bohr2angs.o build_cmatrix.o buildb.o built_angcrd.o built_bgmtrx.o built_bndcrd.o built_dihangcrd.o built_langcrd.o calmoi.o cart2int_hess.o check4_180.o check_pm_pair.o chkeck.o chkint.o chrtab.o cmp_angle.o cnvrt2rad.o compare.o compare2.o compkmat.o comvec.o convhess.o convq.o cshiftpri.o curve.o dbond.o dcheck.o deang.o delta.o dfiles.o dihs.o domorsexyz_ric.o domorsezmt.o dosyop.o dumpcord.o entry.o eval_qstlst_path.o eval_qstlst_path_ric.o eval_qstlst_path_udi.o eval_qstlst_path_xyz.o evec_shift.o expnd2.o expnd4.o f_remove.o fetchz.o filter.o fixori.o flowevfmin.o flowevfts.o flowqsdmin.o flushs.o folowdflt.o folowtangent.o forceout.o frag__init.o frag__loop_through.o frag__work.o frmlst.o gather.o gen_approx_freq.o gen_curr_coords.o gen_new_ric.o gen_rednintrnls.o gen_rics.o gendih.o genrep.o genrst.o gentranmat.o geomout.o geopt.o get_covalradii.o get_mopac_hess.o geticfcm.o getlambda.o getptspqr.o grpops.o gschmidt.o gtflgs.o hessout.o hupdate.o identfy_fragments.o idnmat.o idntfy_constraints.o idntfy_symeqv_atms.o ifindne.o image.o inertia.o init_ric_heap.o initp.o iorgrp.o irreps.o is_connected.o ishell.o itndf.o itoa.o izero.o jfc1.o jsd1.o jso1.o makgen.o minv.o mknddo.o modfy_hessian.o modmatmul.o morsea.o msp_psb.o mtran2.o mtransp.o mxm.o newraph.o nmr1.o nrtsrv.o nucrep.o outerp.o output.o perpop.o perpop2.o piksr2.o piksr3.o polyprt.o polyprt0.o post_opt_update.o powel.o previb.o proces_redintrnls.o procestep.o procestep_xyz.o projdpd.o projec_ifc.o project_fc.o projfcm.o projpld.o qsdline.o qsdminorts.o qstlst_or_evec.o read_cart_constrains.o read_cntvtes.o read_ric_constrains.o readgh.o reflect.o remove_360.o resolve.o retrieve.o rm_backup.o rotcon.o rotm.o savori.o scatter.o scopy.o set_2unit_matrix.o setd2xyz.o setup.o setxyz.o siaz.o sitgrp.o some_string_func.o sortc.o sortxyz.o squez4.o ssum.o stdort.o stptr.o stripdum.o subgroup.o summary.o swpord.o symdrv.o symmet2.o symmetry.o symmetry_auto.o symunq.o symunqonly.o tkstep.o transp.o trnops.o trust_update.o tstops.o twidle.o unitry.o vadd.o vecprd.o vib1.o vminus.o vstat.o what2follow.o write_warn_log.o xcopy.o xdot.o xgemm.o xtrace.o aces_malloc.o c_adr.o c_free.o c_system.o coarse_backup.o coarse_restore.o f_remove_core.o ar: creating libgeopt.a a - aces2_joda_main.o a - adm.o a - alongx.o a - analyze.o a - angmag.o a - angs2bohr.o a - anlyshes.o a - app_cart_constrains.o a - archive.o a - assign_angles.o a - assign_bonds.o a - assign_cnnectvitis.o a - assign_dihls.o a - assign_labels.o a - assign_xyz_labels.o a - bfgs.o a - blkcpy.o a - bltaotoso.o a - bohr2angs.o a - build_cmatrix.o a - buildb.o a - built_angcrd.o a - built_bgmtrx.o a - built_bndcrd.o a - built_dihangcrd.o a - built_langcrd.o a - calmoi.o a - cart2int_hess.o a - check4_180.o a - check_pm_pair.o a - chkeck.o a - chkint.o a - chrtab.o a - cmp_angle.o a - cnvrt2rad.o a - compare.o a - compare2.o a - compkmat.o a - comvec.o a - convhess.o a - convq.o a - cshiftpri.o a - curve.o a - dbond.o a - dcheck.o a - deang.o a - delta.o a - dfiles.o a - dihs.o a - domorsexyz_ric.o a - domorsezmt.o a - dosyop.o a - dumpcord.o a - entry.o a - eval_qstlst_path.o a - eval_qstlst_path_ric.o a - eval_qstlst_path_udi.o a - eval_qstlst_path_xyz.o a - evec_shift.o a - expnd2.o a - expnd4.o a - f_remove.o a - fetchz.o a - filter.o a - fixori.o a - flowevfmin.o a - flowevfts.o a - flowqsdmin.o a - flushs.o a - folowdflt.o a - folowtangent.o a - forceout.o a - frag__init.o a - frag__loop_through.o a - frag__work.o a - frmlst.o a - gather.o a - gen_approx_freq.o a - gen_curr_coords.o a - gen_new_ric.o a - gen_rednintrnls.o a - gen_rics.o a - gendih.o a - genrep.o a - genrst.o a - gentranmat.o a - geomout.o a - geopt.o a - get_covalradii.o a - get_mopac_hess.o a - geticfcm.o a - getlambda.o a - getptspqr.o a - grpops.o a - gschmidt.o a - gtflgs.o a - hessout.o a - hupdate.o a - identfy_fragments.o a - idnmat.o a - idntfy_constraints.o a - idntfy_symeqv_atms.o a - ifindne.o a - image.o a - inertia.o a - init_ric_heap.o a - initp.o a - iorgrp.o a - irreps.o a - is_connected.o a - ishell.o a - itndf.o a - itoa.o a - izero.o a - jfc1.o a - jsd1.o a - jso1.o a - makgen.o a - minv.o a - mknddo.o a - modfy_hessian.o a - modmatmul.o a - morsea.o a - msp_psb.o a - mtran2.o a - mtransp.o a - mxm.o a - newraph.o a - nmr1.o a - nrtsrv.o a - nucrep.o a - outerp.o a - output.o a - perpop.o a - perpop2.o a - piksr2.o a - piksr3.o a - polyprt.o a - polyprt0.o a - post_opt_update.o a - powel.o a - previb.o a - proces_redintrnls.o a - procestep.o a - procestep_xyz.o a - projdpd.o a - projec_ifc.o a - project_fc.o a - projfcm.o a - projpld.o a - qsdline.o a - qsdminorts.o a - qstlst_or_evec.o a - read_cart_constrains.o a - read_cntvtes.o a - read_ric_constrains.o a - readgh.o a - reflect.o a - remove_360.o a - resolve.o a - retrieve.o a - rm_backup.o a - rotcon.o a - rotm.o a - savori.o a - scatter.o a - scopy.o a - set_2unit_matrix.o a - setd2xyz.o a - setup.o a - setxyz.o a - siaz.o a - sitgrp.o a - some_string_func.o a - sortc.o a - sortxyz.o a - squez4.o a - ssum.o a - stdort.o a - stptr.o a - stripdum.o a - subgroup.o a - summary.o a - swpord.o a - symdrv.o a - symmet2.o a - symmetry.o a - symmetry_auto.o a - symunq.o a - symunqonly.o a - tkstep.o a - transp.o a - trnops.o a - trust_update.o a - tstops.o a - twidle.o a - unitry.o a - vadd.o a - vecprd.o a - vib1.o a - vminus.o a - vstat.o a - what2follow.o a - write_warn_log.o a - xcopy.o a - xdot.o a - xgemm.o a - xtrace.o a - aces_malloc.o a - c_adr.o a - c_free.o a - c_system.o a - coarse_backup.o a - coarse_restore.o a - f_remove_core.o cp libgeopt.a ../../../../../lib/libgeopt.a rm -f make.out make.err make[6]: Leaving directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/a2driver/geopt' make[6]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/a2driver/symcor' rm -f make.out make.err mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include aces_ja_truncate.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include assirr.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] assirr.F:412:14: 412 | IF(DABS(CHARCN-Z).LT.TOL)WRITE(IRREP(3:3),'(I1)')I | ^ Warning: ‘charcn’ may be used uninitialized [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include chrtable.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] chrtable.F:200:51: 198 | CALL DPUTREC(20,'JOBARC',TYPE//'CHAR',IRRUNQ*IORDER,CHAR) | 2 199 | CALL IPUTREC(20,'JOBARC',TYPE//'DEGN',IRRUNQ,IDEGEN) 200 | CALL DPUTREC(20,'JOBARC',TYPE//'LABL',IRRUNQ,IRRNM) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(8)/REAL(8)). chrtable.F:201:46: 199 | CALL IPUTREC(20,'JOBARC',TYPE//'DEGN',IRRUNQ,IDEGEN) | 2 200 | CALL DPUTREC(20,'JOBARC',TYPE//'LABL',IRRUNQ,IRRNM) 201 | CALL IPUTREC(20,'JOBARC',TYPE//'NIRX',1,IRRUNQ) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include collect.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] collect.F:53:46: 52 | CALL IGETREC(20,'JOBARC',TYPE//'SYQT',NSIZE,ISCRIN) | 2 53 | CALL IGETREC(20,'JOBARC',TYPE//'NSYQ',1,NCOORD) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) collect.F:54:51: 51 | CALL DGETREC(20,'JOBARC',TYPE//'SYMQ',NSIZE*NSIZE,SCRIN) | 2 ...... 54 | CALL DGETREC(20,'JOBARC',TYPE//'LABL',NIRREP,LABEL) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(8)/REAL(8)). collect.F:55:44: 52 | CALL IGETREC(20,'JOBARC',TYPE//'SYQT',NSIZE,ISCRIN) | 2 ...... 55 | CALL IGETREC(20,'JOBARC','LINEAR ',1,ILINEAR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) collect.F:92:44: 89 | CALL IPUTREC(20,'JOBARC','NVIBSYM ',NIRREP,NVIBSYM) | 2 ...... 92 | CALL IPUTREC(20,'JOBARC','NUMVIBRT',1,NMODE) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include doener.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] doener.F:32:20: 32 | LOGICAL ONEGRD | ^ Warning: ‘onegrd’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include dograd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ener2fcm.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ener2grd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include getgrd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] getgrd.F:84:44: 83 | CALL IGETREC(20,'JOBARC','MAP2ZMAT',NATOM,IMAP) | 2 84 | CALL IGETREC(20,'JOBARC','NREALATM',1,NRATOM) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include grad2fcm.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include gschmidt.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include init_fd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] init_fd.F:36:42: 36 | integer I100, I110, I120, I130, I140, I150, I160, I170, I180, I190 | 1 Warning: Unused variable ‘i140’ declared at (1) [-Wunused-variable] init_fd.F:36:48: 36 | integer I100, I110, I120, I130, I140, I150, I160, I170, I180, I190 | 1 Warning: Unused variable ‘i150’ declared at (1) [-Wunused-variable] init_fd.F:36:54: 36 | integer I100, I110, I120, I130, I140, I150, I160, I170, I180, I190 | 1 Warning: Unused variable ‘i160’ declared at (1) [-Wunused-variable] init_fd.F:36:60: 36 | integer I100, I110, I120, I130, I140, I150, I160, I170, I180, I190 | 1 Warning: Unused variable ‘i170’ declared at (1) [-Wunused-variable] init_fd.F:36:66: 36 | integer I100, I110, I120, I130, I140, I150, I160, I170, I180, I190 | 1 Warning: Unused variable ‘i180’ declared at (1) [-Wunused-variable] init_fd.F:36:72: 36 | integer I100, I110, I120, I130, I140, I150, I160, I170, I180, I190 | 1 Warning: Unused variable ‘i190’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include isrcheq.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include isrchne.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include paces_batch_stat.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] paces_batch_stat.F:39:18: 39 | integer iTmp | 1 Warning: Unused variable ‘itmp’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include piksr3.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include prdegen.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] prdegen.F:67:50: 64 | CALL DGETREC(9,'JOBARC',DOIT//'CHAR',NIRREP*IORDER,CHAR) | 2 ...... 67 | CALL DGETREC(9,'JOBARC',DOIT//'LABL',NIRREP,LABEL) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(8)/REAL(8)). prdegen.F:42:51: 42 | SUBROUTINE PRDEGEN(NATOM,NIRREP,IORDER,NORBIT,ISYMTYP,SYMQ, | 1 Warning: Unused dummy argument ‘norbit’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include prtcoord.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] prtcoord.F:49:51: 47 | CALL DGETREC(20,'JOBARC',DOIT//'SYMQ',NSIZE*NSIZE,DSCR) | 2 48 | CALL IGETREC(20,'JOBARC',DOIT//'SYQT',NSIZE,ISCR) 49 | CALL DGETREC(20,'JOBARC',DOIT//'LABL',NIRREP,LABEL) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(8)/REAL(8)). prtcoord.F:50:44: 48 | CALL IGETREC(20,'JOBARC',DOIT//'SYQT',NSIZE,ISCR) | 2 49 | CALL DGETREC(20,'JOBARC',DOIT//'LABL',NIRREP,LABEL) 50 | CALL IGETREC(20,'JOBARC','NUMVIBRT',1,NMODE) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) prtcoord.F:51:44: 48 | CALL IGETREC(20,'JOBARC',DOIT//'SYQT',NSIZE,ISCR) | 2 ...... 51 | CALL IGETREC(20,'JOBARC','LINEAR ',1,ILINEAR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include q2qprime.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include rotm.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include rotprj.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include schmidt.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include setfcm.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] setfcm.F:127:48: 66 | CALL IGETREC(20,'JOBARC','NUMPOINT',1,NPOINT) | 2 ...... 127 | CALL IGETREC(20,'JOBARC','INVPSMAT',NMODE,INVOP) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) setfcm.F:128:49: 66 | CALL IGETREC(20,'JOBARC','NUMPOINT',1,NPOINT) | 2 ...... 128 | CALL IGETREC(20,'JOBARC','NPTIRREP',NIRREP,NPTSIRR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) setfcm.F:129:50: 66 | CALL IGETREC(20,'JOBARC','NUMPOINT',1,NPOINT) | 2 ...... 129 | CALL IGETREC(20,'JOBARC',TYPE//'SYQT',NSIZE,ISYMIRR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) setfcm.F:130:51: 66 | CALL IGETREC(20,'JOBARC','NUMPOINT',1,NPOINT) | 2 ...... 130 | CALL IGETREC(20,'JOBARC',TYPE//'DEGN',NIRREP,IDEGEN) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) setfcm.F:132:51: 85 | CALL DGETREC(20,'JOBARC','ENGPOINT',NPOINT,DSCR(lENGPNT)) | 2 ...... 132 | CALL DGETREC(20,'JOBARC',TYPE//'LABL',NIRREP,LABEL) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(8)/REAL(8)). setfcm.F:55:26: 55 | LOGICAL PRINTQ, bTmp | 1 Warning: Unused variable ‘btmp’ declared at (1) [-Wunused-variable] setfcm.F:190:72: 190 | & DSCR(lFREE),NDSCRLFT) | ^ Warning: ‘lpolpnt’ may be used uninitialized in this function [-Wmaybe-uninitialized] setfcm.F:190:72: Warning: ‘ldippnt’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include setgrd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] setgrd.F:74:50: 48 | CALL IGETREC(20,'JOBARC','NUMPOINT',1,NPOINT) | 2 ...... 74 | CALL IGETREC(20,'JOBARC',TYPE//'SYQT',NSIZE,ISYMIRR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) setgrd.F:75:51: 48 | CALL IGETREC(20,'JOBARC','NUMPOINT',1,NPOINT) | 2 ...... 75 | CALL IGETREC(20,'JOBARC',TYPE//'DEGN',NIRREP,IDEGEN) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) setgrd.F:77:51: 55 | CALL DGETREC(20,'JOBARC','ENGPOINT',NPOINT,DSCR) | 2 ...... 77 | CALL DGETREC(20,'JOBARC',TYPE//'LABL',NIRREP,LABEL) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(8)/REAL(8)). mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include setpts.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] setpts.F:91:52: 89 | CALL IGETREC(-1,'JOBARC','NFDIRREP',1,ICOUNT) | 2 90 | IF (ICOUNT.NE.0) THEN 91 | CALL IGETREC(-1,'JOBARC','FDIRREP ',ICOUNT,IJUNK) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) setpts.F:137:50: 89 | CALL IGETREC(-1,'JOBARC','NFDIRREP',1,ICOUNT) | 2 ...... 137 | CALL IGETREC(20,'JOBARC',TYPE//'SYQT',NSIZE,ISYMIRR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) setpts.F:138:51: 89 | CALL IGETREC(-1,'JOBARC','NFDIRREP',1,ICOUNT) | 2 ...... 138 | CALL IGETREC(20,'JOBARC',TYPE//'DEGN',NIRREP,IDEGEN) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) setpts.F:139:50: 89 | CALL IGETREC(-1,'JOBARC','NFDIRREP',1,ICOUNT) | 2 ...... 139 | CALL IGETREC(20,'JOBARC','INVPSMAT',3*NATOM,INVOP) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) setpts.F:141:51: 129 | & DSCR(lSYMQ)) | 2 ...... 141 | CALL DGETREC(20,'JOBARC',TYPE//'LABL',NIRREP,LABEL) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(8)/REAL(8)). setpts.F:268:47: 262 | CALL IPUTREC(20,'JOBARC','LASTGEOM',1,1) | 2 ...... 268 | CALL IPUTREC(20,'JOBARC','FDCALCTP',NTOT,IPTTYPE) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) setpts.F:270:49: 262 | CALL IPUTREC(20,'JOBARC','LASTGEOM',1,1) | 2 ...... 270 | CALL IPUTREC(20,'JOBARC','NPTIRREP',NIRREP,NPTIRR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include sort2.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include symadq.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] symadq.F:88:51: 84 | CALL DGETREC(20,'JOBARC',TYPE//'CHAR',NIRREP*IORDER,CHAR) | 2 ...... 88 | CALL DGETREC(20,'JOBARC',TYPE//'LABL',NIRREP,LABEL) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(8)/REAL(8)). symadq.F:94:47: 83 | CALL IGETREC(20,'JOBARC',TYPE//'MEMB',NATOM,ICENSUS) | 2 ...... 94 | CALL IGETREC(20,'JOBARC','NUMVIBRT',1,NMODE) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include symcor.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] symcor.F:152:56: 128 | CALL DPUTREC(20,'JOBARC','REFENERG',1,E) | 2 ...... 152 | CALL DPUTREC(20,'JOBARC','FORCECON',3*NATOM,ICORE) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include traprj.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include trndip.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include trnfcm.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include trngrd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include upd_fd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] upd_fd.F:70:49: 67 | CALL IGETREC(20,'JOBARC','NUMPOINT',1,NPOINT) | 2 ...... 70 | CALL IGETREC(20,'JOBARC','FDCALCTP',NPOINT,IPTTYPE) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) upd_fd.F:103:50: 95 | CALL IPUTREC(20,'JOBARC','FDCALCTP',INEXT,IPTTYPE) | 2 ...... 103 | CALL IPUTREC(20,'JOBARC','LASTGEOM',1,1) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include vibinf.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] vibinf.F:60:51: 57 | CALL DGETREC(20,'JOBARC',TYPE//'CHAR',NIRREP*IORDER,CHAR) | 2 ...... 60 | CALL DGETREC(20,'JOBARC',TYPE//'LABL',NIRREP,LABEL) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(8)/REAL(8)). vibinf.F:64:44: 56 | CALL IGETREC(20,'JOBARC',TYPE//'MEMB',NATOM,ICENSUS) | 2 ...... 64 | CALL IGETREC(20,'JOBARC','LINEAR ',1,ILINEAR) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) ar rv libsymcor.a aces_ja_truncate.o assirr.o chrtable.o collect.o doener.o dograd.o ener2fcm.o ener2grd.o getgrd.o grad2fcm.o gschmidt.o init_fd.o isrcheq.o isrchne.o paces_batch_stat.o piksr3.o prdegen.o prtcoord.o q2qprime.o rotm.o rotprj.o schmidt.o setfcm.o setgrd.o setpts.o sort2.o symadq.o symcor.o traprj.o trndip.o trnfcm.o trngrd.o upd_fd.o vibinf.o ar: creating libsymcor.a a - aces_ja_truncate.o a - assirr.o a - chrtable.o a - collect.o a - doener.o a - dograd.o a - ener2fcm.o a - ener2grd.o a - getgrd.o a - grad2fcm.o a - gschmidt.o a - init_fd.o a - isrcheq.o a - isrchne.o a - paces_batch_stat.o a - piksr3.o a - prdegen.o a - prtcoord.o a - q2qprime.o a - rotm.o a - rotprj.o a - schmidt.o a - setfcm.o a - setgrd.o a - setpts.o a - sort2.o a - symadq.o a - symcor.o a - traprj.o a - trndip.o a - trnfcm.o a - trngrd.o a - upd_fd.o a - vibinf.o cp libsymcor.a ../../../../../lib/libsymcor.a rm -f make.out make.err make[6]: Leaving directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/a2driver/symcor' make[5]: Leaving directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/a2driver' make[5]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory' make[6]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/F12_grid' rm -f make.out make.err mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../../../sia/sip/include -I$MPIHOME/include F12_grid.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] F12_gr.h:4:21: Warning: Padding of 4 bytes required before ‘ptx’ in COMMON ‘f12_gr’ at (1); reorder elements or use ‘-fno-align-commons’ [-Walign-commons] F12_grid.F:18:51: 18 | & lebed_weight,x_lebed,y_lebed,z_lebed,coretop,NEED | 1 Warning: Unused variable ‘coretop’ declared at (1) [-Wunused-variable] F12_grid.F:28:26: 28 | double precision vnn | 1 Warning: Unused variable ‘vnn’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../../../sia/sip/include -I$MPIHOME/include Lebedev-Laikov.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../../../sia/sip/include -I$MPIHOME/include beckegrid.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] beckegrid.F:101:21: 80 | call mem_alloc(ibuf, NEED1, intsize, itop1, .true., ierr) | 2 ...... 101 | call mem_alloc(dbuf, NEED, bytes_per_double, itop, .true., ierr) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). beckegrid.F:109:42: 69 | call getrec (20, 'JOBARC', 'NATOMS ', 1, natmx) | 2 ...... 109 | & dbuf(itop+atmcrd-1) ) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). F12_gr.h:4:21: Warning: Padding of 4 bytes required before ‘ptx’ in COMMON ‘f12_gr’ at (1); reorder elements or use ‘-fno-align-commons’ [-Walign-commons] beckegrid.F:372:13: 372 | & BLSIZE,ind,ind1,ind2,funit,CUTLIM) | 1 Warning: Unused dummy argument ‘blsize’ at (1) [-Wunused-dummy-argument] beckegrid.F:372:33: 372 | & BLSIZE,ind,ind1,ind2,funit,CUTLIM) | 1 Warning: Unused dummy argument ‘funit’ at (1) [-Wunused-dummy-argument] beckegrid.F:381:32: 381 | integer BLSIZE,ind,funit,K,ind1,ind2 | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] F12_gr.h:4:21: Warning: Padding of 4 bytes required before ‘ptx’ in COMMON ‘f12_gr’ at (1); reorder elements or use ‘-fno-align-commons’ [-Walign-commons] beckegrid.F:33:21: 33 | integer coretop,i000,natm,natmx,comppopv,compmemb,atmchr,atmcrd, | 1 Warning: Unused variable ‘coretop’ declared at (1) [-Wunused-variable] beckegrid.F:33:26: 33 | integer coretop,i000,natm,natmx,comppopv,compmemb,atmchr,atmcrd, | 1 Warning: Unused variable ‘i000’ declared at (1) [-Wunused-variable] beckegrid.F:34:66: 34 | & atmmas,I,J,K,iref,compnorb,iGRDPTX,iGRDPTY,iGRDPTZ,iGRDPTWT, | 1 Warning: Unused variable ‘igrdptwt’ declared at (1) [-Wunused-variable] beckegrid.F:34:41: 34 | & atmmas,I,J,K,iref,compnorb,iGRDPTX,iGRDPTY,iGRDPTZ,iGRDPTWT, | 1 Warning: Unused variable ‘igrdptx’ declared at (1) [-Wunused-variable] beckegrid.F:34:49: 34 | & atmmas,I,J,K,iref,compnorb,iGRDPTX,iGRDPTY,iGRDPTZ,iGRDPTWT, | 1 Warning: Unused variable ‘igrdpty’ declared at (1) [-Wunused-variable] beckegrid.F:34:57: 34 | & atmmas,I,J,K,iref,compnorb,iGRDPTX,iGRDPTY,iGRDPTZ,iGRDPTWT, | 1 Warning: Unused variable ‘igrdptz’ declared at (1) [-Wunused-variable] beckegrid.F:39:35: 39 | integer NEED,NEED1,ierr,iq(3) | 1 Warning: Unused variable ‘iq’ declared at (1) [-Wunused-variable] beckegrid.F:38:38: 38 | integer*8 itop,itop1,itop2,itop3 | 1 Warning: Unused variable ‘itop3’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../../../sia/sip/include -I$MPIHOME/include bsr.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] bsr.F:5:15: 5 | integer i, j, k, l | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] bsr.F:5:18: 5 | integer i, j, k, l | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] bsr.F:5:21: 5 | integer i, j, k, l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] bsr.F:5:24: 5 | integer i, j, k, l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../../../sia/sip/include -I$MPIHOME/include gridprmgra.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../../../sia/sip/include -I$MPIHOME/include gridprmval.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../../../sia/sip/include -I$MPIHOME/include prm2vmol.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] prm2vmol.F:25:35: 25 | & nzaoshl (maxshl, natm),i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] prm2vmol.F:24:65: 24 | & natm, nprm, nzao, nbas, maxshl, nangatm (natm), iintfp, | 1 Warning: Unused variable ‘iintfp’ declared at (1) [-Wunused-variable] prm2vmol.F:25:37: 25 | & nzaoshl (maxshl, natm),i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../../../sia/sip/include -I$MPIHOME/include rad_mesh.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] rad_mesh.F:6:18: 6 | integer i, j, k, l,radnum,atnumber | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] rad_mesh.F:6:21: 6 | integer i, j, k, l,radnum,atnumber | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] rad_mesh.F:6:24: 6 | integer i, j, k, l,radnum,atnumber | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../../../sia/sip/include -I$MPIHOME/include rdbasis.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] rdbasis.F:28:10: 28 | & ii | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../../../sia/sip/include -I$MPIHOME/include rdprim1.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../../../sia/sip/include -I$MPIHOME/include rmdummy.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../../../sia/sip/include -I$MPIHOME/include setangfct.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ar rv libF12grid.a F12_grid.o Lebedev-Laikov.o beckegrid.o bsr.o gridprmgra.o gridprmval.o prm2vmol.o rad_mesh.o rdbasis.o rdprim1.o rmdummy.o setangfct.o ar: creating libF12grid.a a - F12_grid.o a - Lebedev-Laikov.o a - beckegrid.o a - bsr.o a - gridprmgra.o a - gridprmval.o a - prm2vmol.o a - rad_mesh.o a - rdbasis.o a - rdprim1.o a - rmdummy.o a - setangfct.o cp libF12grid.a ../../../../../lib/libF12grid.a rm -f make.out make.err make[6]: Leaving directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/F12_grid' make[6]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/direct_integral' rm -f make.out make.err mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include aces_to_erd.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] aces_to_erd.F:426:4: 426 | 2000 continue | 1 Warning: Label 2000 at (1) defined but not used [-Wunused-label] aces_to_erd.F:42:15: 42 | integer n, nshells, ispherical | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] aces_to_erd.F:64:29: 64 | double precision xscale | 1 Warning: Unused variable ‘xscale’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include binpack.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] binpack.F:137:5: 137 | 1000 continue | 1 Warning: Label 1000 at (1) defined but not used [-Wunused-label] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_dipole_moment.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_dipole_moment.F:44:23: 44 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:30:48: 30 | double precision density(da1:da2, db1:db2) | 1 Warning: Unused variable ‘density’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:47:19: 47 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:47:26: 47 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:47:33: 47 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:48:19: 48 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:48:26: 48 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:48:33: 48 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:49:19: 49 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:49:26: 49 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:49:33: 49 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:52:23: 52 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:43:15: 43 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:42:33: 42 | integer icounter, icounter1 | 1 Warning: Unused variable ‘icounter1’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:45:45: 45 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:43:19: 43 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:50:20: 50 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:41:26: 41 | double precision sum | 1 Warning: Unused variable ‘sum’ declared at (1) [-Wunused-variable] comp_dipole_moment.F:62:43: 62 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_first_moment.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_first_moment.F:44:23: 44 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_first_moment.F:30:48: 30 | double precision density(da1:da2, db1:db2) | 1 Warning: Unused variable ‘density’ declared at (1) [-Wunused-variable] comp_first_moment.F:47:19: 47 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_first_moment.F:47:26: 47 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_first_moment.F:47:33: 47 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_first_moment.F:48:19: 48 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_first_moment.F:48:26: 48 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_first_moment.F:48:33: 48 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_first_moment.F:49:19: 49 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_first_moment.F:49:26: 49 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_first_moment.F:49:33: 49 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_first_moment.F:52:23: 52 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_first_moment.F:43:15: 43 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_first_moment.F:42:33: 42 | integer icounter, icounter1 | 1 Warning: Unused variable ‘icounter1’ declared at (1) [-Wunused-variable] comp_first_moment.F:45:45: 45 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_first_moment.F:43:19: 43 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_first_moment.F:50:20: 50 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_first_moment.F:41:26: 41 | double precision sum | 1 Warning: Unused variable ‘sum’ declared at (1) [-Wunused-variable] comp_first_moment.F:62:43: 62 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_fock_der.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_fock_der.F:328:4: 328 | 7000 continue | 1 Warning: Label 7000 at (1) defined but not used [-Wunused-label] comp_fock_der.F:324:3: 324 | 555 continue | 1 Warning: Label 555 at (1) defined but not used [-Wunused-label] comp_fock_der.F:47:23: 47 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_fock_der.F:70:40: 70 | integer jatom, jx, jcenter, dcoord | 1 Warning: Unused variable ‘dcoord’ declared at (1) [-Wunused-variable] comp_fock_der.F:57:23: 57 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_fock_der.F:46:15: 46 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_fock_der.F:55:18: 55 | integer ierr | 1 Warning: Unused variable ‘ierr’ declared at (1) [-Wunused-variable] comp_fock_der.F:48:45: 48 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_fock_der.F:67:43: 67 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_overlap_der.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_overlap_der.F:270:4: 270 | 7000 continue | 1 Warning: Label 7000 at (1) defined but not used [-Wunused-label] comp_overlap_der.F:266:3: 266 | 333 continue | 1 Warning: Label 333 at (1) defined but not used [-Wunused-label] comp_overlap_der.F:50:23: 50 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_overlap_der.F:73:40: 73 | integer jatom, jx, jcenter, dcoord | 1 Warning: Unused variable ‘dcoord’ declared at (1) [-Wunused-variable] comp_overlap_der.F:60:23: 60 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_overlap_der.F:47:15: 47 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_overlap_der.F:58:18: 58 | integer ierr | 1 Warning: Unused variable ‘ierr’ declared at (1) [-Wunused-variable] comp_overlap_der.F:51:45: 51 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_overlap_der.F:48:25: 48 | integer nalpha_pack, npcoeff_pack | 1 Warning: Unused variable ‘nalpha_pack’ declared at (1) [-Wunused-variable] comp_overlap_der.F:48:39: 48 | integer nalpha_pack, npcoeff_pack | 1 Warning: Unused variable ‘npcoeff_pack’ declared at (1) [-Wunused-variable] comp_overlap_der.F:37:36: 37 | double precision dbuf(1), temp | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] comp_overlap_der.F:70:43: 70 | double precision x1,y1,z1,x2,y2,z2, y, fact | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_return_derv_xyz.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_return_derv_xyz.F:275:4: 275 | 7000 continue | 1 Warning: Label 7000 at (1) defined but not used [-Wunused-label] comp_return_derv_xyz.F:271:3: 271 | 333 continue | 1 Warning: Label 333 at (1) defined but not used [-Wunused-label] comp_return_derv_xyz.F:52:23: 52 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_return_derv_xyz.F:74:40: 74 | integer jatom, jx, jcenter, dcoord | 1 Warning: Unused variable ‘dcoord’ declared at (1) [-Wunused-variable] comp_return_derv_xyz.F:32:27: 32 | double precision dsum | 1 Warning: Unused variable ‘dsum’ declared at (1) [-Wunused-variable] comp_return_derv_xyz.F:61:23: 61 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_return_derv_xyz.F:49:15: 49 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_return_derv_xyz.F:33:26: 33 | integer type, icount | 1 Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] comp_return_derv_xyz.F:59:18: 59 | integer ierr | 1 Warning: Unused variable ‘ierr’ declared at (1) [-Wunused-variable] comp_return_derv_xyz.F:53:45: 53 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_return_derv_xyz.F:50:25: 50 | integer nalpha_pack, npcoeff_pack | 1 Warning: Unused variable ‘nalpha_pack’ declared at (1) [-Wunused-variable] comp_return_derv_xyz.F:50:39: 50 | integer nalpha_pack, npcoeff_pack | 1 Warning: Unused variable ‘npcoeff_pack’ declared at (1) [-Wunused-variable] comp_return_derv_xyz.F:39:36: 39 | double precision dbuf(1), temp | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] comp_return_derv_xyz.F:71:43: 71 | double precision x1,y1,z1,x2,y2,z2, y, fact | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_return_h1.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_return_h1.F:75:19: 75 | common /FECP/ntot, ecp_erd(2500,2500) | 1 Warning: Padding of 4 bytes required before ‘ecp_erd’ in COMMON ‘fecp’ at (1); reorder elements or use ‘-fno-align-commons’ [-Walign-commons] comp_return_h1.F:47:23: 47 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_return_h1.F:71:40: 71 | integer jatom, jx, jcenter, dcoord | 1 Warning: Unused variable ‘dcoord’ declared at (1) [-Wunused-variable] comp_return_h1.F:50:19: 50 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_return_h1.F:50:26: 50 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_return_h1.F:50:33: 50 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_return_h1.F:51:19: 51 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_return_h1.F:51:26: 51 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_return_h1.F:51:33: 51 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_return_h1.F:52:19: 52 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_return_h1.F:52:26: 52 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_return_h1.F:52:33: 52 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_return_h1.F:57:23: 57 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_return_h1.F:46:15: 46 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_return_h1.F:55:18: 55 | integer ierr | 1 Warning: Unused variable ‘ierr’ declared at (1) [-Wunused-variable] comp_return_h1.F:48:45: 48 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_return_h1.F:46:19: 46 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_return_h1.F:53:20: 53 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_return_h1.F:68:43: 68 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_return_h1_nodiag.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_return_h1_nodiag.F:75:19: 75 | common /FECP/ntot, ecp_erd(2500,2500) | 1 Warning: Padding of 4 bytes required before ‘ecp_erd’ in COMMON ‘fecp’ at (1); reorder elements or use ‘-fno-align-commons’ [-Walign-commons] comp_return_h1_nodiag.F:47:23: 47 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:71:40: 71 | integer jatom, jx, jcenter, dcoord | 1 Warning: Unused variable ‘dcoord’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:50:19: 50 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:50:26: 50 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:50:33: 50 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:51:19: 51 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:51:26: 51 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:51:33: 51 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:52:19: 52 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:52:26: 52 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:52:33: 52 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:57:23: 57 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:46:15: 46 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:55:18: 55 | integer ierr | 1 Warning: Unused variable ‘ierr’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:48:45: 48 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:46:19: 46 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:53:20: 53 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_return_h1_nodiag.F:68:43: 68 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_return_ovl.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_return_ovl.F:46:23: 46 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_return_ovl.F:70:40: 70 | integer jatom, jx, jcenter, dcoord | 1 Warning: Unused variable ‘dcoord’ declared at (1) [-Wunused-variable] comp_return_ovl.F:49:19: 49 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_return_ovl.F:49:26: 49 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_return_ovl.F:49:33: 49 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_return_ovl.F:50:19: 50 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_return_ovl.F:50:26: 50 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_return_ovl.F:50:33: 50 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_return_ovl.F:51:19: 51 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_return_ovl.F:51:26: 51 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_return_ovl.F:51:33: 51 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_return_ovl.F:56:23: 56 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_return_ovl.F:45:15: 45 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_return_ovl.F:54:22: 54 | integer me, ierr | 1 Warning: Unused variable ‘ierr’ declared at (1) [-Wunused-variable] comp_return_ovl.F:47:45: 47 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_return_ovl.F:45:19: 45 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_return_ovl.F:52:20: 52 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_return_ovl.F:67:43: 67 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_return_x.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_return_x.F:43:23: 43 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_return_x.F:29:48: 29 | double precision density(da1:da2, db1:db2) | 1 Warning: Unused variable ‘density’ declared at (1) [-Wunused-variable] comp_return_x.F:46:19: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_return_x.F:46:26: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_return_x.F:46:33: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_return_x.F:47:19: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_return_x.F:47:26: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_return_x.F:47:33: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_return_x.F:48:19: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_return_x.F:48:26: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_return_x.F:48:33: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_return_x.F:51:23: 51 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_return_x.F:42:15: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_return_x.F:41:33: 41 | integer icounter, icounter1 | 1 Warning: Unused variable ‘icounter1’ declared at (1) [-Wunused-variable] comp_return_x.F:44:45: 44 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_return_x.F:42:19: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_return_x.F:49:20: 49 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_return_x.F:40:26: 40 | double precision sum | 1 Warning: Unused variable ‘sum’ declared at (1) [-Wunused-variable] comp_return_x.F:26:22: 26 | integer me, type | 1 Warning: Unused variable ‘type’ declared at (1) [-Wunused-variable] comp_return_x.F:61:43: 61 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_return_xx.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_return_xx.F:43:23: 43 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_return_xx.F:29:48: 29 | double precision density(da1:da2, db1:db2) | 1 Warning: Unused variable ‘density’ declared at (1) [-Wunused-variable] comp_return_xx.F:46:19: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_return_xx.F:46:26: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_return_xx.F:46:33: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_return_xx.F:47:19: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_return_xx.F:47:26: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_return_xx.F:47:33: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_return_xx.F:48:19: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_return_xx.F:48:26: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_return_xx.F:48:33: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_return_xx.F:51:23: 51 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_return_xx.F:42:15: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_return_xx.F:41:33: 41 | integer icounter, icounter1 | 1 Warning: Unused variable ‘icounter1’ declared at (1) [-Wunused-variable] comp_return_xx.F:44:45: 44 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_return_xx.F:42:19: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_return_xx.F:49:20: 49 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_return_xx.F:40:26: 40 | double precision sum | 1 Warning: Unused variable ‘sum’ declared at (1) [-Wunused-variable] comp_return_xx.F:26:22: 26 | integer me, type | 1 Warning: Unused variable ‘type’ declared at (1) [-Wunused-variable] comp_return_xx.F:61:43: 61 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_return_xy.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_return_xy.F:43:23: 43 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_return_xy.F:29:48: 29 | double precision density(da1:da2, db1:db2) | 1 Warning: Unused variable ‘density’ declared at (1) [-Wunused-variable] comp_return_xy.F:46:19: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_return_xy.F:46:26: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_return_xy.F:46:33: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_return_xy.F:47:19: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_return_xy.F:47:26: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_return_xy.F:47:33: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_return_xy.F:48:19: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_return_xy.F:48:26: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_return_xy.F:48:33: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_return_xy.F:51:23: 51 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_return_xy.F:42:15: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_return_xy.F:41:33: 41 | integer icounter, icounter1 | 1 Warning: Unused variable ‘icounter1’ declared at (1) [-Wunused-variable] comp_return_xy.F:44:45: 44 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_return_xy.F:42:19: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_return_xy.F:49:20: 49 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_return_xy.F:40:26: 40 | double precision sum | 1 Warning: Unused variable ‘sum’ declared at (1) [-Wunused-variable] comp_return_xy.F:26:22: 26 | integer me, type | 1 Warning: Unused variable ‘type’ declared at (1) [-Wunused-variable] comp_return_xy.F:61:43: 61 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_return_xz.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_return_xz.F:43:23: 43 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_return_xz.F:29:48: 29 | double precision density(da1:da2, db1:db2) | 1 Warning: Unused variable ‘density’ declared at (1) [-Wunused-variable] comp_return_xz.F:46:19: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_return_xz.F:46:26: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_return_xz.F:46:33: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_return_xz.F:47:19: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_return_xz.F:47:26: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_return_xz.F:47:33: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_return_xz.F:48:19: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_return_xz.F:48:26: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_return_xz.F:48:33: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_return_xz.F:51:23: 51 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_return_xz.F:42:15: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_return_xz.F:41:33: 41 | integer icounter, icounter1 | 1 Warning: Unused variable ‘icounter1’ declared at (1) [-Wunused-variable] comp_return_xz.F:44:45: 44 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_return_xz.F:42:19: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_return_xz.F:49:20: 49 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_return_xz.F:40:26: 40 | double precision sum | 1 Warning: Unused variable ‘sum’ declared at (1) [-Wunused-variable] comp_return_xz.F:26:22: 26 | integer me, type | 1 Warning: Unused variable ‘type’ declared at (1) [-Wunused-variable] comp_return_xz.F:61:43: 61 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_return_y.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_return_y.F:43:23: 43 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_return_y.F:29:48: 29 | double precision density(da1:da2, db1:db2) | 1 Warning: Unused variable ‘density’ declared at (1) [-Wunused-variable] comp_return_y.F:46:19: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_return_y.F:46:26: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_return_y.F:46:33: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_return_y.F:47:19: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_return_y.F:47:26: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_return_y.F:47:33: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_return_y.F:48:19: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_return_y.F:48:26: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_return_y.F:48:33: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_return_y.F:51:23: 51 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_return_y.F:42:15: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_return_y.F:41:33: 41 | integer icounter, icounter1 | 1 Warning: Unused variable ‘icounter1’ declared at (1) [-Wunused-variable] comp_return_y.F:44:45: 44 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_return_y.F:42:19: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_return_y.F:49:20: 49 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_return_y.F:40:26: 40 | double precision sum | 1 Warning: Unused variable ‘sum’ declared at (1) [-Wunused-variable] comp_return_y.F:26:22: 26 | integer me, type | 1 Warning: Unused variable ‘type’ declared at (1) [-Wunused-variable] comp_return_y.F:61:43: 61 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_return_yy.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_return_yy.F:43:23: 43 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_return_yy.F:29:48: 29 | double precision density(da1:da2, db1:db2) | 1 Warning: Unused variable ‘density’ declared at (1) [-Wunused-variable] comp_return_yy.F:46:19: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_return_yy.F:46:26: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_return_yy.F:46:33: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_return_yy.F:47:19: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_return_yy.F:47:26: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_return_yy.F:47:33: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_return_yy.F:48:19: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_return_yy.F:48:26: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_return_yy.F:48:33: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_return_yy.F:51:23: 51 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_return_yy.F:42:15: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_return_yy.F:41:33: 41 | integer icounter, icounter1 | 1 Warning: Unused variable ‘icounter1’ declared at (1) [-Wunused-variable] comp_return_yy.F:44:45: 44 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_return_yy.F:42:19: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_return_yy.F:49:20: 49 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_return_yy.F:40:26: 40 | double precision sum | 1 Warning: Unused variable ‘sum’ declared at (1) [-Wunused-variable] comp_return_yy.F:26:22: 26 | integer me, type | 1 Warning: Unused variable ‘type’ declared at (1) [-Wunused-variable] comp_return_yy.F:61:43: 61 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_return_yz.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_return_yz.F:43:23: 43 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_return_yz.F:29:48: 29 | double precision density(da1:da2, db1:db2) | 1 Warning: Unused variable ‘density’ declared at (1) [-Wunused-variable] comp_return_yz.F:46:19: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_return_yz.F:46:26: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_return_yz.F:46:33: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_return_yz.F:47:19: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_return_yz.F:47:26: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_return_yz.F:47:33: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_return_yz.F:48:19: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_return_yz.F:48:26: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_return_yz.F:48:33: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_return_yz.F:51:23: 51 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_return_yz.F:42:15: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_return_yz.F:41:33: 41 | integer icounter, icounter1 | 1 Warning: Unused variable ‘icounter1’ declared at (1) [-Wunused-variable] comp_return_yz.F:44:45: 44 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_return_yz.F:42:19: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_return_yz.F:49:20: 49 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_return_yz.F:40:26: 40 | double precision sum | 1 Warning: Unused variable ‘sum’ declared at (1) [-Wunused-variable] comp_return_yz.F:26:22: 26 | integer me, type | 1 Warning: Unused variable ‘type’ declared at (1) [-Wunused-variable] comp_return_yz.F:61:43: 61 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_return_z.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_return_z.F:43:23: 43 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_return_z.F:29:48: 29 | double precision density(da1:da2, db1:db2) | 1 Warning: Unused variable ‘density’ declared at (1) [-Wunused-variable] comp_return_z.F:46:19: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_return_z.F:46:26: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_return_z.F:46:33: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_return_z.F:47:19: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_return_z.F:47:26: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_return_z.F:47:33: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_return_z.F:48:19: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_return_z.F:48:26: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_return_z.F:48:33: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_return_z.F:51:23: 51 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_return_z.F:42:15: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_return_z.F:41:33: 41 | integer icounter, icounter1 | 1 Warning: Unused variable ‘icounter1’ declared at (1) [-Wunused-variable] comp_return_z.F:44:45: 44 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_return_z.F:42:19: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_return_z.F:49:20: 49 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_return_z.F:40:26: 40 | double precision sum | 1 Warning: Unused variable ‘sum’ declared at (1) [-Wunused-variable] comp_return_z.F:26:22: 26 | integer me, type | 1 Warning: Unused variable ‘type’ declared at (1) [-Wunused-variable] comp_return_z.F:61:43: 61 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_return_zz.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_return_zz.F:43:23: 43 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_return_zz.F:29:48: 29 | double precision density(da1:da2, db1:db2) | 1 Warning: Unused variable ‘density’ declared at (1) [-Wunused-variable] comp_return_zz.F:46:19: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_return_zz.F:46:26: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_return_zz.F:46:33: 46 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_return_zz.F:47:19: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_return_zz.F:47:26: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_return_zz.F:47:33: 47 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_return_zz.F:48:19: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_return_zz.F:48:26: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_return_zz.F:48:33: 48 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_return_zz.F:51:23: 51 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_return_zz.F:42:15: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_return_zz.F:41:33: 41 | integer icounter, icounter1 | 1 Warning: Unused variable ‘icounter1’ declared at (1) [-Wunused-variable] comp_return_zz.F:44:45: 44 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_return_zz.F:42:19: 42 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_return_zz.F:49:20: 49 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_return_zz.F:40:26: 40 | double precision sum | 1 Warning: Unused variable ‘sum’ declared at (1) [-Wunused-variable] comp_return_zz.F:26:22: 26 | integer me, type | 1 Warning: Unused variable ‘type’ declared at (1) [-Wunused-variable] comp_return_zz.F:61:43: 61 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include comp_second_moment.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] comp_second_moment.F:44:23: 44 | integer component | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] comp_second_moment.F:30:48: 30 | double precision density(da1:da2, db1:db2) | 1 Warning: Unused variable ‘density’ declared at (1) [-Wunused-variable] comp_second_moment.F:47:19: 47 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] comp_second_moment.F:47:26: 47 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] comp_second_moment.F:47:33: 47 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] comp_second_moment.F:48:19: 48 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] comp_second_moment.F:48:26: 48 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] comp_second_moment.F:48:33: 48 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] comp_second_moment.F:49:19: 49 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] comp_second_moment.F:49:26: 49 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] comp_second_moment.F:49:33: 49 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] comp_second_moment.F:52:23: 52 | integer flopcount | 1 Warning: Unused variable ‘flopcount’ declared at (1) [-Wunused-variable] comp_second_moment.F:43:15: 43 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] comp_second_moment.F:42:33: 42 | integer icounter, icounter1 | 1 Warning: Unused variable ‘icounter1’ declared at (1) [-Wunused-variable] comp_second_moment.F:45:45: 45 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] comp_second_moment.F:43:19: 43 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] comp_second_moment.F:50:20: 50 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] comp_second_moment.F:41:26: 41 | double precision sum | 1 Warning: Unused variable ‘sum’ declared at (1) [-Wunused-variable] comp_second_moment.F:62:43: 62 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include compute_der2_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compute_der2_batch.F:34:27: 34 | integer der_save1(12) | 1 Warning: Unused variable ‘der_save1’ declared at (1) [-Wunused-variable] compute_der2_batch.F:73:34: 73 | double precision scr(*), eps, fact, y | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] compute_der2_batch.F:73:40: 73 | double precision scr(*), eps, fact, y | 1 Warning: Unused variable ‘fact’ declared at (1) [-Wunused-variable] compute_der2_batch.F:48:30: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] compute_der2_batch.F:67:19: 67 | integer ihess, jhess, icomponent, jcomponent | 1 Warning: Unused variable ‘ihess’ declared at (1) [-Wunused-variable] compute_der2_batch.F:48:18: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] compute_der2_batch.F:67:26: 67 | integer ihess, jhess, icomponent, jcomponent | 1 Warning: Unused variable ‘jhess’ declared at (1) [-Wunused-variable] compute_der2_batch.F:39:24: 39 | integer i, j, k, l, n, m, r, s | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] compute_der2_batch.F:16:33: 16 | * scr,maxblk, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] compute_der2_batch.F:53:28: 53 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] compute_der2_batch.F:51:25: 51 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] compute_der2_batch.F:41:37: 41 | integer wder, ncder, nder_first | 1 Warning: Unused variable ‘nder_first’ declared at (1) [-Wunused-variable] compute_der2_batch.F:46:25: 46 | integer ncsum, next, nfirst | 1 Warning: Unused variable ‘next’ declared at (1) [-Wunused-variable] compute_der2_batch.F:43:23: 43 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] compute_der2_batch.F:52:25: 52 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] compute_der2_batch.F:50:18: 50 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] compute_der2_batch.F:62:26: 62 | double precision x1p,y1p,z1p | 1 Warning: Unused variable ‘x1p’ declared at (1) [-Wunused-variable] compute_der2_batch.F:63:26: 63 | double precision x2p,y2p,z2p | 1 Warning: Unused variable ‘x2p’ declared at (1) [-Wunused-variable] compute_der2_batch.F:64:26: 64 | double precision x3p,y3p,z3p | 1 Warning: Unused variable ‘x3p’ declared at (1) [-Wunused-variable] compute_der2_batch.F:65:26: 65 | double precision x4p,y4p,z4p | 1 Warning: Unused variable ‘x4p’ declared at (1) [-Wunused-variable] compute_der2_batch.F:73:43: 73 | double precision scr(*), eps, fact, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] compute_der2_batch.F:62:30: 62 | double precision x1p,y1p,z1p | 1 Warning: Unused variable ‘y1p’ declared at (1) [-Wunused-variable] compute_der2_batch.F:63:30: 63 | double precision x2p,y2p,z2p | 1 Warning: Unused variable ‘y2p’ declared at (1) [-Wunused-variable] compute_der2_batch.F:64:30: 64 | double precision x3p,y3p,z3p | 1 Warning: Unused variable ‘y3p’ declared at (1) [-Wunused-variable] compute_der2_batch.F:65:30: 65 | double precision x4p,y4p,z4p | 1 Warning: Unused variable ‘y4p’ declared at (1) [-Wunused-variable] compute_der2_batch.F:62:34: 62 | double precision x1p,y1p,z1p | 1 Warning: Unused variable ‘z1p’ declared at (1) [-Wunused-variable] compute_der2_batch.F:63:34: 63 | double precision x2p,y2p,z2p | 1 Warning: Unused variable ‘z2p’ declared at (1) [-Wunused-variable] compute_der2_batch.F:64:34: 64 | double precision x3p,y3p,z3p | 1 Warning: Unused variable ‘z3p’ declared at (1) [-Wunused-variable] compute_der2_batch.F:65:34: 65 | double precision x4p,y4p,z4p | 1 Warning: Unused variable ‘z4p’ declared at (1) [-Wunused-variable] compute_der2_batch.F:48:36: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] compute_der2_batch.F:48:24: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include compute_der_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compute_der_batch.F:70:40: 70 | integer jatom, jx, jcenter, dcoord, wder, k, ncder | 1 Warning: Unused variable ‘dcoord’ declared at (1) [-Wunused-variable] compute_der_batch.F:41:30: 41 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] compute_der_batch.F:41:18: 41 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] compute_der_batch.F:70:32: 70 | integer jatom, jx, jcenter, dcoord, wder, k, ncder | 1 Warning: Unused variable ‘jcenter’ declared at (1) [-Wunused-variable] compute_der_batch.F:71:19: 71 | integer katom, kx, kcenter | 1 Warning: Unused variable ‘katom’ declared at (1) [-Wunused-variable] compute_der_batch.F:71:23: 71 | integer katom, kx, kcenter | 1 Warning: Unused variable ‘kx’ declared at (1) [-Wunused-variable] compute_der_batch.F:15:69: 15 | subroutine compute_der_batch(a1,a2,b1,b2,c1,c2,d1,d2,scr,maxblk, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] compute_der_batch.F:46:28: 46 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] compute_der_batch.F:44:25: 44 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] compute_der_batch.F:38:25: 38 | integer ncsum, next, nfirst | 1 Warning: Unused variable ‘next’ declared at (1) [-Wunused-variable] compute_der_batch.F:35:23: 35 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] compute_der_batch.F:45:25: 45 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] compute_der_batch.F:43:18: 43 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] compute_der_batch.F:41:36: 41 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] compute_der_batch.F:41:24: 41 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include compute_erd3.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compute_erd3.F:32:15: 32 | integer i, j, n, m, r | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] compute_erd3.F:41:30: 41 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] compute_erd3.F:41:18: 41 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] compute_erd3.F:16:34: 16 | * iscr, coords,coeffs,alphas, ccbeg, ccend, | 1 Warning: Unused dummy argument ‘iscr’ at (1) [-Wunused-dummy-argument] compute_erd3.F:32:18: 32 | integer i, j, n, m, r | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] compute_erd3.F:15:59: 15 | subroutine compute_erd3C(a1,a2,b1,b2,c1,c2,scr,maxblk, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] compute_erd3.F:46:28: 46 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] compute_erd3.F:44:25: 44 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] compute_erd3.F:38:25: 38 | integer ncsum, next, nfirst | 1 Warning: Unused variable ‘next’ declared at (1) [-Wunused-variable] compute_erd3.F:35:23: 35 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] compute_erd3.F:45:25: 45 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] compute_erd3.F:43:18: 43 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] compute_erd3.F:41:36: 41 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] compute_erd3.F:41:24: 41 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] compute_erd3.F:38:33: 38 | integer ncsum, next, nfirst | ^ Warning: ‘nfirst’ may be used uninitialized [-Wmaybe-uninitialized] compute_erd3.F:170:16: 170 | if (nints .gt. 0) then | ^ Warning: ‘nints’ may be used uninitialized [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include compute_erd_2e_Sderv_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compute_erd_2e_Sderv_integrals.F:987:3: 987 | 200 continue | 1 Warning: Label 200 at (1) defined but not used [-Wunused-label] compute_erd_2e_Sderv_integrals.F:502:19: 502 | integer i,j,k,kmin,nmin,wmin,map(4),satom(4),xtype | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:502:24: 502 | integer i,j,k,kmin,nmin,wmin,map(4),satom(4),xtype | 1 Warning: Unused variable ‘kmin’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:499:26: 499 | subroutine setflag(m,n,r,s,satom,nflags,iflags) | 1 Warning: Unused dummy argument ‘m’ at (1) [-Wunused-dummy-argument] compute_erd_2e_Sderv_integrals.F:502:41: 502 | integer i,j,k,kmin,nmin,wmin,map(4),satom(4),xtype | 1 Warning: Unused variable ‘map’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:499:28: 499 | subroutine setflag(m,n,r,s,satom,nflags,iflags) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] compute_erd_2e_Sderv_integrals.F:502:29: 502 | integer i,j,k,kmin,nmin,wmin,map(4),satom(4),xtype | 1 Warning: Unused variable ‘nmin’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:499:30: 499 | subroutine setflag(m,n,r,s,satom,nflags,iflags) | 1 Warning: Unused dummy argument ‘r’ at (1) [-Wunused-dummy-argument] compute_erd_2e_Sderv_integrals.F:499:32: 499 | subroutine setflag(m,n,r,s,satom,nflags,iflags) | 1 Warning: Unused dummy argument ‘s’ at (1) [-Wunused-dummy-argument] compute_erd_2e_Sderv_integrals.F:502:34: 502 | integer i,j,k,kmin,nmin,wmin,map(4),satom(4),xtype | 1 Warning: Unused variable ‘wmin’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:502:56: 502 | integer i,j,k,kmin,nmin,wmin,map(4),satom(4),xtype | 1 Warning: Unused variable ‘xtype’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:67:38: 67 | double precision scr(*), y, fact | 1 Warning: Unused variable ‘fact’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:50:30: 50 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:47:41: 47 | integer ncsum, next, nfirst, ifirst, jfirst, kfirst | 1 Warning: Unused variable ‘ifirst’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:50:18: 50 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:47:49: 47 | integer ncsum, next, nfirst, ifirst, jfirst, kfirst | 1 Warning: Unused variable ‘jfirst’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:40:20: 40 | integer ix, jx | 1 Warning: Unused variable ‘jx’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:17:33: 17 | * scr,maxblk, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] compute_erd_2e_Sderv_integrals.F:55:28: 55 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:53:25: 53 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:70:24: 70 | integer myder(4,3), mySder(4,3), satom(4) | 1 Warning: Unused variable ‘myder’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:70:37: 70 | integer myder(4,3), mySder(4,3), satom(4) | 1 Warning: Unused variable ‘mysder’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:41:25: 41 | integer wder, ncder, nder_first | 1 Warning: Unused variable ‘ncder’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:71:20: 71 | integer ncder1, ncder2, wder1, wder2, nfirst1, nfirst2 | 1 Warning: Unused variable ‘ncder1’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:71:28: 71 | integer ncder1, ncder2, wder1, wder2, nfirst1, nfirst2 | 1 Warning: Unused variable ‘ncder2’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:41:37: 41 | integer wder, ncder, nder_first | 1 Warning: Unused variable ‘nder_first’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:47:25: 47 | integer ncsum, next, nfirst, ifirst, jfirst, kfirst | 1 Warning: Unused variable ‘next’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:71:51: 71 | integer ncder1, ncder2, wder1, wder2, nfirst1, nfirst2 | 1 Warning: Unused variable ‘nfirst1’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:71:60: 71 | integer ncder1, ncder2, wder1, wder2, nfirst1, nfirst2 | 1 Warning: Unused variable ‘nfirst2’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:44:23: 44 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:54:25: 54 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:52:18: 52 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:41:18: 41 | integer wder, ncder, nder_first | 1 Warning: Unused variable ‘wder’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:71:35: 71 | integer ncder1, ncder2, wder1, wder2, nfirst1, nfirst2 | 1 Warning: Unused variable ‘wder1’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:71:42: 71 | integer ncder1, ncder2, wder1, wder2, nfirst1, nfirst2 | 1 Warning: Unused variable ‘wder2’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:50:36: 50 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:50:24: 50 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] compute_erd_2e_Sderv_integrals.F:320:48: 320 | if ((der_flags(a) .eq. 1).and.(a .gt. kfirst)) then | ^ Warning: ‘kfirst’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include compute_erd_2e_derv_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compute_erd_2e_derv_integrals.F:46:30: 46 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] compute_erd_2e_derv_integrals.F:46:18: 46 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] compute_erd_2e_derv_integrals.F:36:24: 36 | integer i, j, k, l, n, m, r, s | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] compute_erd_2e_derv_integrals.F:17:33: 17 | * scr,maxblk, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] compute_erd_2e_derv_integrals.F:51:28: 51 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] compute_erd_2e_derv_integrals.F:49:25: 49 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] compute_erd_2e_derv_integrals.F:38:37: 38 | integer wder, ncder, nder_first | 1 Warning: Unused variable ‘nder_first’ declared at (1) [-Wunused-variable] compute_erd_2e_derv_integrals.F:43:25: 43 | integer ncsum, next, nfirst | 1 Warning: Unused variable ‘next’ declared at (1) [-Wunused-variable] compute_erd_2e_derv_integrals.F:40:23: 40 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] compute_erd_2e_derv_integrals.F:50:25: 50 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] compute_erd_2e_derv_integrals.F:48:18: 48 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] compute_erd_2e_derv_integrals.F:46:36: 46 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] compute_erd_2e_derv_integrals.F:46:24: 46 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include compute_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compute_integrals.F:32:15: 32 | integer i, j, n, m, r, s | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] compute_integrals.F:41:30: 41 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] compute_integrals.F:41:18: 41 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] compute_integrals.F:32:18: 32 | integer i, j, n, m, r, s | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] compute_integrals.F:15:69: 15 | subroutine compute_integrals(a1,a2,b1,b2,c1,c2,d1,d2,scr,maxblk, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] compute_integrals.F:46:28: 46 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] compute_integrals.F:44:25: 44 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] compute_integrals.F:38:25: 38 | integer ncsum, next, nfirst | 1 Warning: Unused variable ‘next’ declared at (1) [-Wunused-variable] compute_integrals.F:35:23: 35 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] compute_integrals.F:45:25: 45 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] compute_integrals.F:43:18: 43 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] compute_integrals.F:41:36: 41 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] compute_integrals.F:41:24: 41 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include compute_integrals_wrapper.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compute_integrals_wrapper.F:29:15: 29 | integer i, nsend, maxblk | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] compute_integrals_wrapper.F:62:72: 62 | * x, nsend) | ^ Warning: ‘integral_scr’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include compute_oed_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compute_oed_integrals.F:43:16: 43 | integer j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include compute_return_1soix.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compute_return_1soix.F:20:36: 20 | double precision dbuf(1), temp | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include compute_return_1soiy.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compute_return_1soiy.F:20:36: 20 | double precision dbuf(1), temp | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include compute_return_1soiz.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compute_return_1soiz.F:20:36: 20 | double precision dbuf(1), temp | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include compute_return_2soix.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compute_return_2soix.F:62:25: 62 | integer*8 arg64(25) | 1 Warning: Unused variable ‘arg64’ declared at (1) [-Wunused-variable] compute_return_2soix.F:66:33: 66 | double precision itol, bmax, dtemp, emax | 1 Warning: Unused variable ‘bmax’ declared at (1) [-Wunused-variable] compute_return_2soix.F:59:43: 59 | integer*8 ccbeg_pack64(max_dim_coeff), ccend_pack64(max_dim_coeff) | 1 Warning: Unused variable ‘ccbeg_pack64’ declared at (1) [-Wunused-variable] compute_return_2soix.F:59:72: 59 | integer*8 ccbeg_pack64(max_dim_coeff), ccend_pack64(max_dim_coeff) | 1 Warning: Unused variable ‘ccend_pack64’ declared at (1) [-Wunused-variable] compute_return_2soix.F:66:40: 66 | double precision itol, bmax, dtemp, emax | 1 Warning: Unused variable ‘dtemp’ declared at (1) [-Wunused-variable] compute_return_2soix.F:66:46: 66 | double precision itol, bmax, dtemp, emax | 1 Warning: Unused variable ‘emax’ declared at (1) [-Wunused-variable] compute_return_2soix.F:20:15: 20 | integer i, j, n, m, r, s | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] compute_return_2soix.F:30:30: 30 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] compute_return_2soix.F:30:18: 30 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] compute_return_2soix.F:20:18: 20 | integer i, j, n, m, r, s | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] compute_return_2soix.F:2:29: 2 | * maxblk, iscr, coords,coeffs,alphas, ccbeg, ccend, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] compute_return_2soix.F:39:28: 39 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] compute_return_2soix.F:37:25: 37 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] compute_return_2soix.F:28:17: 28 | integer nc1, nc2, nd1, nd2 | 1 Warning: Unused variable ‘nc1’ declared at (1) [-Wunused-variable] compute_return_2soix.F:28:22: 28 | integer nc1, nc2, nd1, nd2 | 1 Warning: Unused variable ‘nc2’ declared at (1) [-Wunused-variable] compute_return_2soix.F:28:27: 28 | integer nc1, nc2, nd1, nd2 | 1 Warning: Unused variable ‘nd1’ declared at (1) [-Wunused-variable] compute_return_2soix.F:28:32: 28 | integer nc1, nc2, nd1, nd2 | 1 Warning: Unused variable ‘nd2’ declared at (1) [-Wunused-variable] compute_return_2soix.F:26:25: 26 | integer ncsum, next, nfirst | 1 Warning: Unused variable ‘next’ declared at (1) [-Wunused-variable] compute_return_2soix.F:23:23: 23 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] compute_return_2soix.F:38:25: 38 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] compute_return_2soix.F:36:18: 36 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] compute_return_2soix.F:47:24: 47 | double precision x | 1 Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable] compute_return_2soix.F:30:36: 30 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] compute_return_2soix.F:30:24: 30 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include compute_return_2soiy.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compute_return_2soiy.F:62:25: 62 | integer*8 arg64(25) | 1 Warning: Unused variable ‘arg64’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:66:33: 66 | double precision itol, bmax, dtemp, emax | 1 Warning: Unused variable ‘bmax’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:59:43: 59 | integer*8 ccbeg_pack64(max_dim_coeff), ccend_pack64(max_dim_coeff) | 1 Warning: Unused variable ‘ccbeg_pack64’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:59:72: 59 | integer*8 ccbeg_pack64(max_dim_coeff), ccend_pack64(max_dim_coeff) | 1 Warning: Unused variable ‘ccend_pack64’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:66:40: 66 | double precision itol, bmax, dtemp, emax | 1 Warning: Unused variable ‘dtemp’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:66:46: 66 | double precision itol, bmax, dtemp, emax | 1 Warning: Unused variable ‘emax’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:20:15: 20 | integer i, j, n, m, r, s | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:30:30: 30 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:30:18: 30 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:20:18: 20 | integer i, j, n, m, r, s | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:2:29: 2 | * maxblk, iscr, coords,coeffs,alphas, ccbeg, ccend, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] compute_return_2soiy.F:39:28: 39 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:37:25: 37 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:28:17: 28 | integer nc1, nc2, nd1, nd2 | 1 Warning: Unused variable ‘nc1’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:28:22: 28 | integer nc1, nc2, nd1, nd2 | 1 Warning: Unused variable ‘nc2’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:28:27: 28 | integer nc1, nc2, nd1, nd2 | 1 Warning: Unused variable ‘nd1’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:28:32: 28 | integer nc1, nc2, nd1, nd2 | 1 Warning: Unused variable ‘nd2’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:26:25: 26 | integer ncsum, next, nfirst | 1 Warning: Unused variable ‘next’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:23:23: 23 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:38:25: 38 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:36:18: 36 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:47:24: 47 | double precision y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:30:36: 30 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] compute_return_2soiy.F:30:24: 30 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include compute_return_2soiz.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] compute_return_2soiz.F:62:25: 62 | integer*8 arg64(25) | 1 Warning: Unused variable ‘arg64’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:66:33: 66 | double precision itol, bmax, dtemp, emax | 1 Warning: Unused variable ‘bmax’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:59:43: 59 | integer*8 ccbeg_pack64(max_dim_coeff), ccend_pack64(max_dim_coeff) | 1 Warning: Unused variable ‘ccbeg_pack64’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:59:72: 59 | integer*8 ccbeg_pack64(max_dim_coeff), ccend_pack64(max_dim_coeff) | 1 Warning: Unused variable ‘ccend_pack64’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:66:40: 66 | double precision itol, bmax, dtemp, emax | 1 Warning: Unused variable ‘dtemp’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:66:46: 66 | double precision itol, bmax, dtemp, emax | 1 Warning: Unused variable ‘emax’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:20:15: 20 | integer i, j, n, m, r, s | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:30:30: 30 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:30:18: 30 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:20:18: 20 | integer i, j, n, m, r, s | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:2:29: 2 | * maxblk, iscr, coords,coeffs,alphas, ccbeg, ccend, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] compute_return_2soiz.F:39:28: 39 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:37:25: 37 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:28:17: 28 | integer nc1, nc2, nd1, nd2 | 1 Warning: Unused variable ‘nc1’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:28:22: 28 | integer nc1, nc2, nd1, nd2 | 1 Warning: Unused variable ‘nc2’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:28:27: 28 | integer nc1, nc2, nd1, nd2 | 1 Warning: Unused variable ‘nd1’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:28:32: 28 | integer nc1, nc2, nd1, nd2 | 1 Warning: Unused variable ‘nd2’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:26:25: 26 | integer ncsum, next, nfirst | 1 Warning: Unused variable ‘next’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:23:23: 23 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:38:25: 38 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:36:18: 36 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:47:24: 47 | double precision z | 1 Warning: Unused variable ‘z’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:30:36: 30 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] compute_return_2soiz.F:30:24: 30 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include contract_ecp_derv_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] contract_ecp_derv_integrals.F:203:20: 203 | logical bexist | 1 Warning: Unused variable ‘bexist’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:204:20: 204 | logical dexist | 1 Warning: Unused variable ‘dexist’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:168:49: 168 | subroutine decp_renorm(nbasis, z, erd_index, scalars) | 1 Warning: Unused dummy argument ‘erd_index’ at (1) [-Wunused-dummy-argument] contract_ecp_derv_integrals.F:202:28: 202 | integer map(max_basis) | 1 Warning: Unused variable ‘map’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:200:34: 200 | integer nbasis, ndim, natoms | 1 Warning: Unused variable ‘natoms’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:200:26: 200 | integer nbasis, ndim, natoms | 1 Warning: Unused variable ‘ndim’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:205:39: 205 | double precision scale(max_basis) | 1 Warning: Unused variable ‘scale’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:47:15: 47 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:47:22: 47 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:47:25: 47 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘a2’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:61:48: 61 | double precision alpha_pack(max_dim_coeff), | 1 Warning: Unused variable ‘alpha_pack’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:47:18: 47 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:47:28: 47 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘b1’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:47:31: 47 | integer a, b, a1,a2,b1,b2,lastao, igrad | 1 Warning: Unused variable ‘b2’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:60:39: 60 | integer ccbeg_pack(max_dim_coeff), ccend_pack(max_dim_coeff) | 1 Warning: Unused variable ‘ccbeg_pack’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:60:66: 60 | integer ccbeg_pack(max_dim_coeff), ccend_pack(max_dim_coeff) | 1 Warning: Unused variable ‘ccend_pack’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:49:19: 49 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1x’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:49:26: 49 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1y’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:49:33: 49 | integer der1x, der1y, der1z | 1 Warning: Unused variable ‘der1z’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:50:19: 50 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2x’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:50:26: 50 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2y’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:50:33: 50 | integer der2x, der2y, der2z | 1 Warning: Unused variable ‘der2z’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:51:19: 51 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:51:26: 51 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:51:33: 51 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:45:19: 45 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:52:20: 52 | integer ixderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:70:25: 70 | integer ndim, j, jj, kk | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:45:22: 45 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:48:16: 48 | integer m1, m2, n1, n2 | 1 Warning: Unused variable ‘m1’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:48:20: 48 | integer m1, m2, n1, n2 | 1 Warning: Unused variable ‘m2’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:45:25: 45 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:48:24: 48 | integer m1, m2, n1, n2 | 1 Warning: Unused variable ‘n1’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:48:28: 48 | integer m1, m2, n1, n2 | 1 Warning: Unused variable ‘n2’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:45:48: 45 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘nalpha’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:45:56: 45 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ncoeff’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:45:70: 45 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘ncsum’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:45:33: 45 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘nfirst’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:45:40: 45 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘nints’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:62:49: 62 | * pcoeff_pack(max_dim_coeff) | 1 Warning: Unused variable ‘pcoeff_pack’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:32:18: 32 | integer type | 1 Warning: Unused variable ‘type’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:65:25: 65 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:65:34: 65 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:63:38: 63 | double precision xn(max_centers), yn(max_centers), | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:65:28: 65 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:65:37: 65 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:63:55: 63 | double precision xn(max_centers), yn(max_centers), | 1 Warning: Unused variable ‘yn’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:65:31: 65 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘z1’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:65:40: 65 | double precision x1,y1,z1,x2,y2,z2, y | 1 Warning: Unused variable ‘z2’ declared at (1) [-Wunused-variable] contract_ecp_derv_integrals.F:64:38: 64 | * zn(max_centers) | 1 Warning: Unused variable ‘zn’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include contract_erd_2der.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] contract_erd_2der.F:40:17: 40 | integer a,b,c,d | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] contract_erd_2der.F:40:19: 40 | integer a,b,c,d | 1 Warning: Unused variable ‘c’ declared at (1) [-Wunused-variable] contract_erd_2der.F:40:21: 40 | integer a,b,c,d | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] contract_erd_2der.F:34:27: 34 | integer der_save1(12) | 1 Warning: Unused variable ‘der_save1’ declared at (1) [-Wunused-variable] contract_erd_2der.F:71:34: 71 | double precision scr(*), eps, fact, y | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] contract_erd_2der.F:71:40: 71 | double precision scr(*), eps, fact, y | 1 Warning: Unused variable ‘fact’ declared at (1) [-Wunused-variable] contract_erd_2der.F:48:30: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] contract_erd_2der.F:48:18: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] contract_erd_2der.F:16:44: 16 | * der_flags, scr,maxblk, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] contract_erd_2der.F:53:28: 53 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] contract_erd_2der.F:51:25: 51 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] contract_erd_2der.F:41:37: 41 | integer wder, ncder, nder_first | 1 Warning: Unused variable ‘nder_first’ declared at (1) [-Wunused-variable] contract_erd_2der.F:43:23: 43 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] contract_erd_2der.F:52:25: 52 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] contract_erd_2der.F:50:18: 50 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] contract_erd_2der.F:61:26: 61 | double precision x1p,y1p,z1p | 1 Warning: Unused variable ‘x1p’ declared at (1) [-Wunused-variable] contract_erd_2der.F:62:26: 62 | double precision x2p,y2p,z2p | 1 Warning: Unused variable ‘x2p’ declared at (1) [-Wunused-variable] contract_erd_2der.F:63:26: 63 | double precision x3p,y3p,z3p | 1 Warning: Unused variable ‘x3p’ declared at (1) [-Wunused-variable] contract_erd_2der.F:64:26: 64 | double precision x4p,y4p,z4p | 1 Warning: Unused variable ‘x4p’ declared at (1) [-Wunused-variable] contract_erd_2der.F:61:30: 61 | double precision x1p,y1p,z1p | 1 Warning: Unused variable ‘y1p’ declared at (1) [-Wunused-variable] contract_erd_2der.F:62:30: 62 | double precision x2p,y2p,z2p | 1 Warning: Unused variable ‘y2p’ declared at (1) [-Wunused-variable] contract_erd_2der.F:63:30: 63 | double precision x3p,y3p,z3p | 1 Warning: Unused variable ‘y3p’ declared at (1) [-Wunused-variable] contract_erd_2der.F:64:30: 64 | double precision x4p,y4p,z4p | 1 Warning: Unused variable ‘y4p’ declared at (1) [-Wunused-variable] contract_erd_2der.F:61:34: 61 | double precision x1p,y1p,z1p | 1 Warning: Unused variable ‘z1p’ declared at (1) [-Wunused-variable] contract_erd_2der.F:62:34: 62 | double precision x2p,y2p,z2p | 1 Warning: Unused variable ‘z2p’ declared at (1) [-Wunused-variable] contract_erd_2der.F:63:34: 63 | double precision x3p,y3p,z3p | 1 Warning: Unused variable ‘z3p’ declared at (1) [-Wunused-variable] contract_erd_2der.F:64:34: 64 | double precision x4p,y4p,z4p | 1 Warning: Unused variable ‘z4p’ declared at (1) [-Wunused-variable] contract_erd_2der.F:48:36: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] contract_erd_2der.F:48:24: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include contract_oed_2derv_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] contract_oed_2derv_integrals.F:57:19: 57 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercx’ declared at (1) [-Wunused-variable] contract_oed_2derv_integrals.F:57:26: 57 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercy’ declared at (1) [-Wunused-variable] contract_oed_2derv_integrals.F:57:33: 57 | integer dercx, dercy, dercz | 1 Warning: Unused variable ‘dercz’ declared at (1) [-Wunused-variable] contract_oed_2derv_integrals.F:70:58: 70 | double precision x1,y1,z1,x2,y2,z2, x, y, tess, fact | 1 Warning: Unused variable ‘fact’ declared at (1) [-Wunused-variable] contract_oed_2derv_integrals.F:51:15: 51 | integer i, j, m, n, nfirst, nints, nalpha, ncoeff, iatom, jatom | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] contract_oed_2derv_integrals.F:58:20: 58 | integer ixderc, jxderc | 1 Warning: Unused variable ‘ixderc’ declared at (1) [-Wunused-variable] contract_oed_2derv_integrals.F:51:18: 51 | integer i, j, m, n, nfirst, nints, nalpha, ncoeff, iatom, jatom | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] contract_oed_2derv_integrals.F:58:28: 58 | integer ixderc, jxderc | 1 Warning: Unused variable ‘jxderc’ declared at (1) [-Wunused-variable] contract_oed_2derv_integrals.F:70:52: 70 | double precision x1,y1,z1,x2,y2,z2, x, y, tess, fact | 1 Warning: Unused variable ‘tess’ declared at (1) [-Wunused-variable] contract_oed_2derv_integrals.F:70:43: 70 | double precision x1,y1,z1,x2,y2,z2, x, y, tess, fact | 1 Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include contract_oed_2derv_num.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] contract_oed_2derv_num.F:49:23: 49 | integer component,icomponent,jcomponent,ihess,jhess,newatoms | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] contract_oed_2derv_num.F:48:15: 48 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom,jatom | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] contract_oed_2derv_num.F:50:50: 50 | integer a, b, a1,a2,b1,b2,lastao,ncsum,igrad | 1 Warning: Unused variable ‘igrad’ declared at (1) [-Wunused-variable] contract_oed_2derv_num.F:49:66: 49 | integer component,icomponent,jcomponent,ihess,jhess,newatoms | 1 Warning: Unused variable ‘newatoms’ declared at (1) [-Wunused-variable] contract_oed_2derv_num.F:68:43: 68 | double precision x1,y1,z1,x2,y2,z2, x, y, fact | 1 Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include contract_oed_2derv_type1.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] contract_oed_2derv_type1.F:456:5: 456 | 1000 continue | 1 Warning: Label 1000 at (1) defined but not used [-Wunused-label] contract_oed_2derv_type1.F:50:15: 50 | integer i, j, m, n, nfirst, nints, nalpha, ncoeff, iatom, jatom | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1.F:51:51: 51 | integer component, icomponent, jcomponent, ix, jx, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1.F:50:18: 50 | integer i, j, m, n, nfirst, nints, nalpha, ncoeff, iatom, jatom | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1.F:58:28: 58 | integer ixderc, jxderc | 1 Warning: Unused variable ‘jxderc’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1.F:53:30: 53 | * map(max_centers) | 1 Warning: Unused variable ‘map’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1.F:73:43: 73 | double precision x1,y1,z1,x2,y2,z2, x, y, fact | 1 Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include contract_oed_2derv_type1_numint.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] contract_oed_2derv_type1_numint.F:456:4: 456 | 1000 continue | 1 Warning: Label 1000 at (1) defined but not used [-Wunused-label] contract_oed_2derv_type1_numint.F:50:15: 50 | integer i, j, m, n, nfirst, nints, nalpha, ncoeff, iatom, jatom | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1_numint.F:51:51: 51 | integer component, icomponent, jcomponent, ix, jx, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1_numint.F:50:18: 50 | integer i, j, m, n, nfirst, nints, nalpha, ncoeff, iatom, jatom | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1_numint.F:58:28: 58 | integer ixderc, jxderc | 1 Warning: Unused variable ‘jxderc’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1_numint.F:53:30: 53 | * map(max_centers) | 1 Warning: Unused variable ‘map’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1_numint.F:73:52: 73 | double precision x1,y1,z1,x2,y2,z2, x, y, tess, fact | 1 Warning: Unused variable ‘tess’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1_numint.F:73:43: 73 | double precision x1,y1,z1,x2,y2,z2, x, y, tess, fact | 1 Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include contract_oed_2derv_type1a.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] contract_oed_2derv_type1a.F:461:4: 461 | 1000 continue | 1 Warning: Label 1000 at (1) defined but not used [-Wunused-label] contract_oed_2derv_type1a.F:51:15: 51 | integer i, j, m, n, nfirst, nints, nalpha, ncoeff, iatom, jatom | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1a.F:52:51: 52 | integer component, icomponent, jcomponent, ix, jx, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1a.F:51:18: 51 | integer i, j, m, n, nfirst, nints, nalpha, ncoeff, iatom, jatom | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1a.F:59:28: 59 | integer ixderc, jxderc | 1 Warning: Unused variable ‘jxderc’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1a.F:54:30: 54 | * map(max_centers) | 1 Warning: Unused variable ‘map’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1a.F:74:52: 74 | double precision x1,y1,z1,x2,y2,z2, x, y, tess, fact | 1 Warning: Unused variable ‘tess’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1a.F:74:43: 74 | double precision x1,y1,z1,x2,y2,z2, x, y, tess, fact | 1 Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include contract_oed_2derv_type1b.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] contract_oed_2derv_type1b.F:444:4: 444 | 1000 continue | 1 Warning: Label 1000 at (1) defined but not used [-Wunused-label] contract_oed_2derv_type1b.F:52:23: 52 | integer component, icomponent, jcomponent, ix, jx, ncsum | 1 Warning: Unused variable ‘component’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1b.F:51:15: 51 | integer i, j, m, n, nfirst, nints, nalpha, ncoeff, iatom, jatom | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1b.F:36:26: 36 | integer type, ipertx | 1 Warning: Unused variable ‘ipertx’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1b.F:52:51: 52 | integer component, icomponent, jcomponent, ix, jx, ncsum | 1 Warning: Unused variable ‘ix’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1b.F:51:18: 51 | integer i, j, m, n, nfirst, nints, nalpha, ncoeff, iatom, jatom | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1b.F:59:28: 59 | integer ixderc, jxderc | 1 Warning: Unused variable ‘jxderc’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1b.F:54:30: 54 | * map(max_centers) | 1 Warning: Unused variable ‘map’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1b.F:73:52: 73 | double precision x1,y1,z1,x2,y2,z2, x, y, tess, fact | 1 Warning: Unused variable ‘tess’ declared at (1) [-Wunused-variable] contract_oed_2derv_type1b.F:73:43: 73 | double precision x1,y1,z1,x2,y2,z2, x, y, tess, fact | 1 Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include contract_oed_derv_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] contract_oed_derv_integrals.F:45:15: 45 | integer i, ix, m, n, nfirst, nints, nalpha, ncoeff, iatom, ncsum | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] contract_oed_derv_integrals.F:68:20: 68 | integer natoms | 1 Warning: Unused variable ‘natoms’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include ecp_renorm.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp_renorm.F:53:19: 53 | common /FECP/ndim, ecp_erd(2500,2500) | 1 Warning: Padding of 4 bytes required before ‘ecp_erd’ in COMMON ‘fecp’ at (1); reorder elements or use ‘-fno-align-commons’ [-Walign-commons] ecp_renorm.F:52:40: 52 | double precision ecp_erd, decp_erd | 1 Warning: Unused variable ‘decp_erd’ declared at (1) [-Wunused-variable] ecp_renorm.F:58:20: 58 | logical dexist | 1 Warning: Unused variable ‘dexist’ declared at (1) [-Wunused-variable] ecp_renorm.F:43:52: 43 | double precision ecp_vmol(max_basis,max_basis) | 1 Warning: Array ‘ecp_vmol’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] ecp_renorm.F:44:49: 44 | double precision etemp(max_basis*max_basis),W,ws | 1 Warning: Array ‘etemp’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] ecp_renorm.F:46:33: 46 | integer i, j, k, ii, jj, kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ecp_renorm.F:51:34: 51 | integer nbasis, ndim, natoms | 1 Warning: Unused variable ‘natoms’ declared at (1) [-Wunused-variable] ecp_renorm.F:47:18: 47 | integer nctr, nsh_coords | 1 Warning: Unused variable ‘nctr’ declared at (1) [-Wunused-variable] ecp_renorm.F:47:30: 47 | integer nctr, nsh_coords | 1 Warning: Unused variable ‘nsh_coords’ declared at (1) [-Wunused-variable] ecp_renorm.F:44:51: 44 | double precision etemp(max_basis*max_basis),W,ws | 1 Warning: Unused variable ‘w’ declared at (1) [-Wunused-variable] ecp_renorm.F:44:54: 44 | double precision etemp(max_basis*max_basis),W,ws | 1 Warning: Unused variable ‘ws’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include ecp_to_erd.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp_to_erd.F:42:15: 42 | integer n, nshells, ispherical | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include erd_scratch_mem_calc.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] F12.h:3:18: Warning: Padding of 4 bytes required before ‘f12gamma’ in COMMON ‘f12’ at (1); reorder elements or use ‘-fno-align-commons’ [-Walign-commons] erd_scratch_mem_calc.F:65:15: 65 | integer i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] erd_scratch_mem_calc.F:75:18: 75 | integer lmax, ncmax, npmax | 1 Warning: Unused variable ‘lmax’ declared at (1) [-Wunused-variable] erd_scratch_mem_calc.F:75:25: 75 | integer lmax, ncmax, npmax | 1 Warning: Unused variable ‘ncmax’ declared at (1) [-Wunused-variable] erd_scratch_mem_calc.F:75:32: 75 | integer lmax, ncmax, npmax | 1 Warning: Unused variable ‘npmax’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include fast_erd_scratch_mem_calc.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] fast_erd_scratch_mem_calc.F:70:27: 70 | logical*8 l8spherical | 1 Warning: Unused variable ‘l8spherical’ declared at (1) [-Wunused-variable] fast_erd_scratch_mem_calc.F:68:21: 68 | logical*8 l8var | 1 Warning: Unused variable ‘l8var’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include get1e.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include lookup_shell.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] lookup_shell.F:32:26: 32 | integer i, a, m, sum | 1 Warning: Unused variable ‘sum’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include move_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] move_integrals.F:105:26: 105 | double precision sum | 1 Warning: Unused variable ‘sum’ declared at (1) [-Wunused-variable] move_integrals.F:181:33: 181 | double precision fact, temp | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include nn_repulsion_energy.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include pack_coeffs.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] pack_coeffs.F:38:18: 38 | integer k, l, icc | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include pack_coeffs_oed.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] pack_coeffs_oed.F:40:18: 40 | integer k, l, icc | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include pack_coeffs_ovl3c.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] pack_coeffs_ovl3c.F:38:18: 38 | integer k, l, icc | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] pack_coeffs_ovl3c.F:30:24: 30 | integer m, n, r, s | 1 Warning: Unused variable ‘s’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include segment_mol.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] segment_mol.F:65:20: 65 | logical bExist | 1 Warning: Unused variable ‘bexist’ declared at (1) [-Wunused-variable] segment_mol.F:53:58: 53 | double precision dPrim(maxPpB), dCoef(maxPpB,maxCpB) | 1 Warning: Array ‘dcoef’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] segment_mol.F:62:45: 62 | integer i, j, iOff, iReg0, iReg1, iReg2, iReg3 | 1 Warning: Unused variable ‘ireg2’ declared at (1) [-Wunused-variable] segment_mol.F:62:52: 62 | integer i, j, iOff, iReg0, iReg1, iReg2, iReg3 | 1 Warning: Unused variable ‘ireg3’ declared at (1) [-Wunused-variable] segment_mol.F:62:18: 62 | integer i, j, iOff, iReg0, iReg1, iReg2, iReg3 | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] segment_mol.F:61:24: 61 | integer nSubShells, SubShellPtr(maxCpB) | 1 Warning: Unused variable ‘nsubshells’ declared at (1) [-Wunused-variable] segment_mol.F:63:57: 63 | character*80 szOldBuf(maxLines), szNewBuf(maxLines) | 1 Warning: Array ‘sznewbuf’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] segment_mol.F:63:37: 63 | character*80 szOldBuf(maxLines), szNewBuf(maxLines) | 1 Warning: Array ‘szoldbuf’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include setup_ccbeg.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] setup_ccbeg.F:15:34: 15 | subroutine setup_ccbeg(alpha, ixalpha, pcoeff, ixpcoeff, | 1 Warning: Unused dummy argument ‘alpha’ at (1) [-Wunused-dummy-argument] setup_ccbeg.F:15:43: 15 | subroutine setup_ccbeg(alpha, ixalpha, pcoeff, ixpcoeff, | 1 Warning: Unused dummy argument ‘ixalpha’ at (1) [-Wunused-dummy-argument] setup_ccbeg.F:29:18: 29 | integer i, j, ishell | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] setup_ccbeg.F:26:20: 26 | integer nalpha, npcoeff | 1 Warning: Unused variable ‘nalpha’ declared at (1) [-Wunused-variable] setup_ccbeg.F:26:29: 26 | integer nalpha, npcoeff | 1 Warning: Unused variable ‘npcoeff’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include sip_integral_init.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] sip_integral_init.F:123:27: 105 | call mem_alloc(dbuf, nw, bytes_per_double, icoord, .true., | 2 ...... 123 | call mem_alloc(ibuf, nw, intsize, ierdind, | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(4)/REAL(8)). sip_integral_init.F:306:37: 305 | erd_base_int_addr = c_loc64(ibuf, ipkgscr, intsize) | 2 306 | erd_base_dp_addr = c_loc64(dbuf, dpkgscr, bytes_per_double) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/INTEGER(4)). F12.h:3:18: Warning: Padding of 4 bytes required before ‘f12gamma’ in COMMON ‘f12’ at (1); reorder elements or use ‘-fno-align-commons’ [-Walign-commons] sip_integral_init.F:51:20: 51 | integer*8 addr | 1 Warning: Unused variable ‘addr’ declared at (1) [-Wunused-variable] sip_integral_init.F:50:35: 50 | integer*8 get_index_from_base | 1 Warning: Unused variable ‘get_index_from_base’ declared at (1) [-Wunused-variable] sip_integral_init.F:39:27: 39 | integer iBytes, i0int | 1 Warning: Unused variable ‘i0int’ declared at (1) [-Wunused-variable] sip_integral_init.F:39:20: 39 | integer iBytes, i0int | 1 Warning: Unused variable ‘ibytes’ declared at (1) [-Wunused-variable] sip_integral_init.F:40:18: 40 | integer i, j, ncomp | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] sip_integral_init.F:40:25: 40 | integer i, j, ncomp | 1 Warning: Unused variable ‘ncomp’ declared at (1) [-Wunused-variable] sip_integral_init.F:56:29: 56 | integer pst_get_company | 1 Warning: Unused variable ‘pst_get_company’ declared at (1) [-Wunused-variable] sip_integral_init.F:57:33: 57 | integer pst_get_mem_scratch | 1 Warning: Unused variable ‘pst_get_mem_scratch’ declared at (1) [-Wunused-variable] sip_integral_init.F:54:26: 54 | integer pst_get_role | 1 Warning: Unused variable ‘pst_get_role’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include test2d_numint.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] test2d_numint.F:47:30: 47 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] test2d_numint.F:47:18: 47 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] test2d_numint.F:17:33: 17 | * scr,maxblk, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] test2d_numint.F:52:28: 52 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] test2d_numint.F:50:25: 50 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] test2d_numint.F:39:37: 39 | integer wder, ncder, nder_first | 1 Warning: Unused variable ‘nder_first’ declared at (1) [-Wunused-variable] test2d_numint.F:44:25: 44 | integer ncsum, next, nfirst | 1 Warning: Unused variable ‘next’ declared at (1) [-Wunused-variable] test2d_numint.F:41:23: 41 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] test2d_numint.F:51:25: 51 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] test2d_numint.F:49:18: 49 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] test2d_numint.F:47:36: 47 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] test2d_numint.F:47:24: 47 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include tester_MRT1.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] tester_MRT1.F:807:3: 807 | 987 continue | 1 Warning: Label 987 at (1) defined but not used [-Wunused-label] tester_MRT1.F:48:30: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] tester_MRT1.F:48:18: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] tester_MRT1.F:17:33: 17 | * scr,maxblk, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] tester_MRT1.F:53:28: 53 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] tester_MRT1.F:51:25: 51 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] tester_MRT1.F:41:37: 41 | integer wder, ncder, nder_first | 1 Warning: Unused variable ‘nder_first’ declared at (1) [-Wunused-variable] tester_MRT1.F:46:25: 46 | integer ncsum, next, nfirst | 1 Warning: Unused variable ‘next’ declared at (1) [-Wunused-variable] tester_MRT1.F:43:23: 43 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] tester_MRT1.F:52:25: 52 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] tester_MRT1.F:50:18: 50 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] tester_MRT1.F:48:36: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] tester_MRT1.F:48:24: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include tester_MRT2.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] tester_MRT2.F:811:3: 811 | 987 continue | 1 Warning: Label 987 at (1) defined but not used [-Wunused-label] tester_MRT2.F:48:30: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] tester_MRT2.F:48:18: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] tester_MRT2.F:16:44: 16 | * der_flags, scr,maxblk, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] tester_MRT2.F:53:28: 53 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] tester_MRT2.F:51:25: 51 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] tester_MRT2.F:41:37: 41 | integer wder, ncder, nder_first | 1 Warning: Unused variable ‘nder_first’ declared at (1) [-Wunused-variable] tester_MRT2.F:46:25: 46 | integer ncsum, next, nfirst | 1 Warning: Unused variable ‘next’ declared at (1) [-Wunused-variable] tester_MRT2.F:43:23: 43 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] tester_MRT2.F:52:25: 52 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] tester_MRT2.F:50:18: 50 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] tester_MRT2.F:48:36: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] tester_MRT2.F:48:24: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include tester_MRT3.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] tester_MRT3.F:934:3: 934 | 987 continue | 1 Warning: Label 987 at (1) defined but not used [-Wunused-label] tester_MRT3.F:48:30: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] tester_MRT3.F:67:19: 67 | integer ihess, jhess, icomponent, jcomponent, kcomponent | 1 Warning: Unused variable ‘ihess’ declared at (1) [-Wunused-variable] tester_MRT3.F:48:18: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] tester_MRT3.F:18:25: 18 | * in) | 1 Warning: Unused dummy argument ‘in’ at (1) [-Wunused-dummy-argument] tester_MRT3.F:67:26: 67 | integer ihess, jhess, icomponent, jcomponent, kcomponent | 1 Warning: Unused variable ‘jhess’ declared at (1) [-Wunused-variable] tester_MRT3.F:68:54: 68 | integer iatom, jatom, katom, iflag, jflag, kflag | 1 Warning: Unused variable ‘kflag’ declared at (1) [-Wunused-variable] tester_MRT3.F:16:44: 16 | * der_flags, scr,maxblk, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] tester_MRT3.F:53:28: 53 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] tester_MRT3.F:51:25: 51 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] tester_MRT3.F:41:37: 41 | integer wder, ncder, nder_first | 1 Warning: Unused variable ‘nder_first’ declared at (1) [-Wunused-variable] tester_MRT3.F:46:25: 46 | integer ncsum, next, nfirst | 1 Warning: Unused variable ‘next’ declared at (1) [-Wunused-variable] tester_MRT3.F:43:23: 43 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] tester_MRT3.F:52:25: 52 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] tester_MRT3.F:50:18: 50 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] tester_MRT3.F:74:43: 74 | double precision scr(*), eps, fact, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] tester_MRT3.F:48:36: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] tester_MRT3.F:48:24: 48 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I../../../../sia/sip/include -I$MPIHOME/include tester_MRT4.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] tester_MRT4.F:1121:3: 1121 | 987 continue | 1 Warning: Label 987 at (1) defined but not used [-Wunused-label] tester_MRT4.F:49:30: 49 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘iblk’ declared at (1) [-Wunused-variable] tester_MRT4.F:68:19: 68 | integer ihess, jhess, icomponent, jcomponent, kcomponent, | 1 Warning: Unused variable ‘ihess’ declared at (1) [-Wunused-variable] tester_MRT4.F:49:18: 49 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] tester_MRT4.F:18:25: 18 | * in) | 1 Warning: Unused dummy argument ‘in’ at (1) [-Wunused-dummy-argument] tester_MRT4.F:68:26: 68 | integer ihess, jhess, icomponent, jcomponent, kcomponent, | 1 Warning: Unused variable ‘jhess’ declared at (1) [-Wunused-variable] tester_MRT4.F:70:54: 70 | integer iatom, jatom, katom, iflag, jflag, kflag, | 1 Warning: Unused variable ‘kflag’ declared at (1) [-Wunused-variable] tester_MRT4.F:71:26: 71 | * latom, lflag | 1 Warning: Unused variable ‘lflag’ declared at (1) [-Wunused-variable] tester_MRT4.F:69:19: 69 | * lhess, lcomponent | 1 Warning: Unused variable ‘lhess’ declared at (1) [-Wunused-variable] tester_MRT4.F:16:44: 16 | * der_flags, scr,maxblk, | 1 Warning: Unused dummy argument ‘maxblk’ at (1) [-Wunused-dummy-argument] tester_MRT4.F:54:28: 54 | logical mn_rs_symmetry | 1 Warning: Unused variable ‘mn_rs_symmetry’ declared at (1) [-Wunused-variable] tester_MRT4.F:52:25: 52 | logical mn_symmetry | 1 Warning: Unused variable ‘mn_symmetry’ declared at (1) [-Wunused-variable] tester_MRT4.F:42:37: 42 | integer wder, ncder, nder_first | 1 Warning: Unused variable ‘nder_first’ declared at (1) [-Wunused-variable] tester_MRT4.F:47:25: 47 | integer ncsum, next, nfirst | 1 Warning: Unused variable ‘next’ declared at (1) [-Wunused-variable] tester_MRT4.F:44:23: 44 | integer num_to_do, nsend | 1 Warning: Unused variable ‘num_to_do’ declared at (1) [-Wunused-variable] tester_MRT4.F:53:25: 53 | logical rs_symmetry | 1 Warning: Unused variable ‘rs_symmetry’ declared at (1) [-Wunused-variable] tester_MRT4.F:51:18: 51 | logical skip | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] tester_MRT4.F:77:43: 77 | double precision scr(*), eps, fact, y | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] tester_MRT4.F:49:36: 49 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zblk’ declared at (1) [-Wunused-variable] tester_MRT4.F:49:24: 49 | integer imin, zmin, iblk, zblk | 1 Warning: Unused variable ‘zmin’ declared at (1) [-Wunused-variable] rm -f make.out make.err make[6]: Leaving directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/direct_integral' make[6]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/ecp' rm -f make.out make.err mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include a3_ecp_basis_init.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] a3_ecp_basis_init.F:34:22: 34 | & iccoff(Max_centers,Maxang,Maxjco), | 1 Warning: Array ‘iccoff’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] a3_ecp_basis_init.F:33:22: 33 | & ipeoff(Max_centers,Maxang,Maxjco), | 1 Warning: Array ‘ipeoff’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] a3_ecp_basis_init.F:1:48: 1 | subroutine A3_Ecp_basis_init(Natoms, Namat, Iqmstr, Jcostr, | 1 Warning: Unused dummy argument ‘namat’ at (1) [-Wunused-dummy-argument] a3_ecp_basis_init.F:35:22: 35 | & newoff(Max_centers,Maxang,Maxjco), | 1 Warning: Array ‘newoff’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] a3_ecp_basis_init.F:4:40: 4 | & Nharm) | 1 Warning: Unused dummy argument ‘nharm’ at (1) [-Wunused-dummy-argument] a3_ecp_basis_init.F:36:22: 36 | & numpri(Max_centers,Maxang,Maxjco), | 1 Warning: Array ‘numpri’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include a3_ecp_basis_init_4grd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] a3_ecp_basis_init_4grd.F:252:17: 252 | nbf=nbf+ndegen(nshll)*fmult(mulilq) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] a3_ecp_basis_init_4grd.F:21:21: 21 | integer eor,and,or,dstrt | 1 Warning: Unused variable ‘and’ declared at (1) [-Wunused-variable] a3_ecp_basis_init_4grd.F:21:30: 21 | integer eor,and,or,dstrt | 1 Warning: Unused variable ‘dstrt’ declared at (1) [-Wunused-variable] a3_ecp_basis_init_4grd.F:21:17: 21 | integer eor,and,or,dstrt | 1 Warning: Unused variable ‘eor’ declared at (1) [-Wunused-variable] a3_ecp_basis_init_4grd.F:37:22: 37 | & iccoff(Max_centers,Maxang,Maxjco), | 1 Warning: Array ‘iccoff’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] a3_ecp_basis_init_4grd.F:36:22: 36 | & ipeoff(Max_centers,Maxang,Maxjco), | 1 Warning: Array ‘ipeoff’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] a3_ecp_basis_init_4grd.F:3:43: 3 | & Jrs, Expa, Nalpha, Cont, Npcoef, | 1 Warning: Unused dummy argument ‘jrs’ at (1) [-Wunused-dummy-argument] a3_ecp_basis_init_4grd.F:1:53: 1 | subroutine A3_ecp_basis_init_4grd(Natoms, Namat, Iqmstr, | 1 Warning: Unused dummy argument ‘namat’ at (1) [-Wunused-dummy-argument] a3_ecp_basis_init_4grd.F:38:22: 38 | & newoff(Max_centers,Maxang,Maxjco), | 1 Warning: Array ‘newoff’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] a3_ecp_basis_init_4grd.F:4:45: 4 | & Nharm) | 1 Warning: Unused dummy argument ‘nharm’ at (1) [-Wunused-dummy-argument] a3_ecp_basis_init_4grd.F:39:22: 39 | & numpri(Max_centers,Maxang,Maxjco), | 1 Warning: Array ‘numpri’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] a3_ecp_basis_init_4grd.F:21:24: 21 | integer eor,and,or,dstrt | 1 Warning: Unused variable ‘or’ declared at (1) [-Wunused-variable] a3_ecp_basis_init_4grd.F:168:72: 168 | do iat=1,NMAX | ^ Warning: ‘nmax’ is used uninitialized [-Wuninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include a3_ecp_grdint_driver.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] a3_ecp_grdint_driver.F:31:20: 31 | dimension Cint(Maxmem_a3), Ecpint_4Shell(Maxints_4shell), | 1 Warning: Array ‘cint’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] a3_ecp_grdint_driver.F:32:24: 32 | & Ecpgrd_x(Maxints_4shell), Ecpgrd_y(Maxints_4shell), | 1 Warning: Array ‘ecpgrd_x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] a3_ecp_grdint_driver.F:32:50: 32 | & Ecpgrd_x(Maxints_4shell), Ecpgrd_y(Maxints_4shell), | 1 Warning: Array ‘ecpgrd_y’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] a3_ecp_grdint_driver.F:33:24: 33 | & Ecpgrd_z(Maxints_4shell), | 1 Warning: Array ‘ecpgrd_z’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] a3_ecp_grdint_driver.F:31:46: 31 | dimension Cint(Maxmem_a3), Ecpint_4Shell(Maxints_4shell), | 1 Warning: Array ‘ecpint_4shell’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] a3_ecp_grdint_driver.F:2:56: 2 | & Iloc, Isoc, IGenby, Coord, | 1 Warning: Unused dummy argument ‘igenby’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include a3_ecp_grdint_main.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] a3_ecp_grdint_main.F:5:48: 5 | & Cord, Charge, IGenby, Spherical, | 1 Warning: Unused dummy argument ‘charge’ at (1) [-Wunused-dummy-argument] a3_ecp_grdint_main.F:15:37: 15 | Character*80 Cnick(Max_centers) | 1 Warning: Unused variable ‘cnick’ declared at (1) [-Wunused-variable] a3_ecp_grdint_main.F:4:59: 4 | & Jrs, Expa, Nalpha, Cont, Npcoef, | 1 Warning: Unused dummy argument ‘cont’ at (1) [-Wunused-dummy-argument] a3_ecp_grdint_main.F:16:38: 16 | Character*80 Ecpnam(Max_centers) | 1 Warning: Unused variable ‘ecpnam’ declared at (1) [-Wunused-variable] a3_ecp_grdint_main.F:4:45: 4 | & Jrs, Expa, Nalpha, Cont, Npcoef, | 1 Warning: Unused dummy argument ‘expa’ at (1) [-Wunused-dummy-argument] a3_ecp_grdint_main.F:2:40: 2 | Subroutine A3_ECP_grdint_main(Iecp, Natoms, Namat, Iqmstr, | 1 Warning: Unused dummy argument ‘iecp’ at (1) [-Wunused-dummy-argument] a3_ecp_grdint_main.F:2:63: 2 | Subroutine A3_ECP_grdint_main(Iecp, Natoms, Namat, Iqmstr, | 1 Warning: Unused dummy argument ‘iqmstr’ at (1) [-Wunused-dummy-argument] a3_ecp_grdint_main.F:3:42: 3 | & Jcostr, Nucstr, Nrcstr, Jstrt, | 1 Warning: Unused dummy argument ‘jcostr’ at (1) [-Wunused-dummy-argument] a3_ecp_grdint_main.F:4:39: 4 | & Jrs, Expa, Nalpha, Cont, Npcoef, | 1 Warning: Unused dummy argument ‘jrs’ at (1) [-Wunused-dummy-argument] a3_ecp_grdint_main.F:3:65: 3 | & Jcostr, Nucstr, Nrcstr, Jstrt, | 1 Warning: Unused dummy argument ‘jstrt’ at (1) [-Wunused-dummy-argument] a3_ecp_grdint_main.F:14:36: 14 | Character*2 mtype(Max_centers) | 1 Warning: Unused variable ‘mtype’ declared at (1) [-Wunused-variable] a3_ecp_grdint_main.F:2:55: 2 | Subroutine A3_ECP_grdint_main(Iecp, Natoms, Namat, Iqmstr, | 1 Warning: Unused dummy argument ‘namat’ at (1) [-Wunused-dummy-argument] a3_ecp_grdint_main.F:3:58: 3 | & Jcostr, Nucstr, Nrcstr, Jstrt, | 1 Warning: Unused dummy argument ‘nrcstr’ at (1) [-Wunused-dummy-argument] a3_ecp_grdint_main.F:3:50: 3 | & Jcostr, Nucstr, Nrcstr, Jstrt, | 1 Warning: Unused dummy argument ‘nucstr’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include a3_ecp_int_driver.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] a3_ecp_int_driver.F:30:20: 30 | dimension Cint(Maxmem_a3), Ecpint_4Shell(Maxints_4shell), | 1 Warning: Array ‘cint’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] a3_ecp_int_driver.F:30:46: 30 | dimension Cint(Maxmem_a3), Ecpint_4Shell(Maxints_4shell), | 1 Warning: Array ‘ecpint_4shell’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include a3_ecp_main.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] a3_ecp_main.F:27:21: 27 | & Fcord(3,Max_centers) | 1 Warning: Unused variable ‘fcord’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include a3_ecp_set4_grdint.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] a3_ecp_set4_grdint.F:47:21: 47 | Itol = Iflags(h_IFLAGS2_intgrl_tol) | 1 Warning: Array reference at (1) is out of bounds (108 > 100) in dimension 1 a3_ecp_set4_grdint.F:6:41: 6 | & Coord, Charge) | 1 Warning: Unused dummy argument ‘coord’ at (1) [-Wunused-dummy-argument] a3_ecp_set4_grdint.F:19:26: 19 | Logical Nharm, Grads | 1 Warning: Unused variable ‘grads’ declared at (1) [-Wunused-variable] a3_ecp_set4_grdint.F:26:22: 26 | & IGenby(Max_centers), Charge(Max_centers) | 1 Warning: Unused variable ‘igenby’ declared at (1) [-Wunused-variable] a3_ecp_set4_grdint.F:3:45: 3 | Subroutine A3_ECP_set4_grdint(Iecp,Nmax,namat,iqmstr,jcostr, | 1 Warning: Unused dummy argument ‘nmax’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include a3_ecpgrd_int.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] a3_ecpgrd_int.F:5:36: 5 | & Iatom, Jatom) | 1 Warning: Unused dummy argument ‘iatom’ at (1) [-Wunused-dummy-argument] a3_ecpgrd_int.F:3:44: 3 | & Numcoj, Iprim, Jprim, Exp1, EXp2, | 1 Warning: Unused dummy argument ‘iprim’ at (1) [-Wunused-dummy-argument] a3_ecpgrd_int.F:5:43: 5 | & Iatom, Jatom) | 1 Warning: Unused dummy argument ‘jatom’ at (1) [-Wunused-dummy-argument] a3_ecpgrd_int.F:3:51: 3 | & Numcoj, Iprim, Jprim, Exp1, EXp2, | 1 Warning: Unused dummy argument ‘jprim’ at (1) [-Wunused-dummy-argument] a3_ecpgrd_int.F:4:67: 4 | & Ecpgrd_x, Ecpgrd_y, Ecpgrd_z, Natoms, | 1 Warning: Unused dummy argument ‘natoms’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ang_int.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include atgrep.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include bess.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include binomial_coefs.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include chrges.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] chrges.F:14:16: 14 | nuchar=CHARGE(iat) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include dfactorial.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecp_ang_int2.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp_ang_int2.F:1:54: 1 | Subroutine Ecp_Ang_int2(Xph, Yph, Zph, Lamu, lab, Nx, Ny, Nz, | 1 Warning: Unused dummy argument ‘lab’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecp_ang_int_typ1.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecp_ang_int_typ2.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp_ang_int_typ2.F:2:53: 2 | & Zbhat, La, Lb, Ltot, Lamalo, Lamahi, | 1 Warning: Unused dummy argument ‘ltot’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecp_grdint.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp_grdint.F:14:25: 14 | & Ecpgrd_SX(Maxints_4shell), | 1 Warning: Array ‘ecpgrd_sx’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] ecp_grdint.F:15:25: 15 | & Ecpgrd_SY(Maxints_4shell), | 1 Warning: Array ‘ecpgrd_sy’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] ecp_grdint.F:16:25: 16 | & Ecpgrd_SZ(Maxints_4shell), | 1 Warning: Array ‘ecpgrd_sz’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] ecp_grdint.F:17:19: 17 | & Tmp(Maxints_4shell), Tmp1(Maxints_4shell) | 1 Warning: Array ‘tmp’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] ecp_grdint.F:17:41: 17 | & Tmp(Maxints_4shell), Tmp1(Maxints_4shell) | 1 Warning: Array ‘tmp1’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecp_grdint_4prim.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecp_init.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecp_int.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp_int.F:14:42: 14 | & Cart2sph(Dmap_L), Ecpint_S(Maxints_4shell), | 1 Warning: Array ‘ecpint_s’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] ecp_int.F:3:31: 3 | & Ishell, Jshell, Spherical) | 1 Warning: Unused dummy argument ‘ishell’ at (1) [-Wunused-dummy-argument] ecp_int.F:3:39: 3 | & Ishell, Jshell, Spherical) | 1 Warning: Unused dummy argument ‘jshell’ at (1) [-Wunused-dummy-argument] ecp_int.F:16:19: 16 | & Tmp(Maxints_4shell) | 1 Warning: Array ‘tmp’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] ecp_int.F:15:20: 15 | & Tmp1(Maxints_4shell), | 1 Warning: Array ‘tmp1’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecp_int_4prim.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecp_int_4shell.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp_int_4shell.F:2:63: 2 | & Numcoj, Indnpri, Indnprj, Iprim, Jprim, | 1 Warning: Unused dummy argument ‘iprim’ at (1) [-Wunused-dummy-argument] ecp_int_4shell.F:2:70: 2 | & Numcoj, Indnpri, Indnprj, Iprim, Jprim, | 1 Warning: Unused dummy argument ‘jprim’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecp_int_typ1.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp_int_typ1.F:4:37: 4 | & PC_zero, Cint, Int, Rad1_zero, Grads) | 1 Warning: Unused dummy argument ‘pc_zero’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecp_int_typ2.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] f951: Warning: Nonconforming tab character in column 1 of line 113 [-Wtabs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecp_molread.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp_molread.F:87:33: 87 | integer ihess, jhess, iatom, jatom | 1 Warning: Unused variable ‘iatom’ declared at (1) [-Wunused-variable] ecp_molread.F:79:20: 79 | integer idosph, idum(8) | 1 Warning: Unused variable ‘idosph’ declared at (1) [-Wunused-variable] ecp_molread.F:87:19: 87 | integer ihess, jhess, iatom, jatom | 1 Warning: Unused variable ‘ihess’ declared at (1) [-Wunused-variable] ecp_molread.F:87:40: 87 | integer ihess, jhess, iatom, jatom | 1 Warning: Unused variable ‘jatom’ declared at (1) [-Wunused-variable] ecp_molread.F:87:26: 87 | integer ihess, jhess, iatom, jatom | 1 Warning: Unused variable ‘jhess’ declared at (1) [-Wunused-variable] ecp_molread.F:84:55: 84 | double precision nuclear_nuclear_repulsion_energy | 1 Warning: Unused variable ‘nuclear_nuclear_repulsion_energy’ declared at (1) [-Wunused-variable] ecp_molread.F:83:30: 83 | double precision vnn, r3, r5 | 1 Warning: Unused variable ‘r3’ declared at (1) [-Wunused-variable] ecp_molread.F:83:34: 83 | double precision vnn, r3, r5 | 1 Warning: Unused variable ‘r5’ declared at (1) [-Wunused-variable] ecp_molread.F:18:62: 18 | & nPFpS, NAOATM, angmom, atomic_label, vnn, | 1 Warning: Unused dummy argument ‘vnn’ at (1) [-Wunused-dummy-argument] ecp_molread.F:488:32: 488 | DOUBLE PRECISION erd_scale | 1 Warning: Unused variable ‘erd_scale’ declared at (1) [-Wunused-variable] ecp_molread.F:434:69: 434 | SUBROUTINE READ_BASIS_INFOECP(FNAME,IUATMS,NATOMS,NPOP,IREORDER, | 1 Warning: Unused dummy argument ‘ireorder’ at (1) [-Wunused-dummy-argument] ecp_molread.F:438:71: 438 | & MAX_ATOMS, ATMNAM, COORD, CORD, NAOATM) | 1 Warning: Unused dummy argument ‘naoatm’ at (1) [-Wunused-dummy-argument] ecp_molread.F:436:37: 436 | & NFCT, NBASIS, ALPHA, IXALPHA, | 1 Warning: Unused dummy argument ‘nfct’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecp_rad_int_typ1.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecp_rad_int_typ2.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp_rad_int_typ2.F:6:53: 6 | & Yc, Zc, CA, CB, Pc2, Fact_ab, Rad2, | 1 Warning: Unused dummy argument ‘pc2’ at (1) [-Wunused-dummy-argument] ecp_rad_int_typ2.F:4:39: 4 | & Xahat, Yahat, Zahat, Xbhat, Ybhat, | 1 Warning: Unused dummy argument ‘xahat’ at (1) [-Wunused-dummy-argument] ecp_rad_int_typ2.F:4:60: 4 | & Xahat, Yahat, Zahat, Xbhat, Ybhat, | 1 Warning: Unused dummy argument ‘xbhat’ at (1) [-Wunused-dummy-argument] ecp_rad_int_typ2.F:5:55: 5 | & Zbhat, Xp, Yp, Zp, Xc, | 1 Warning: Unused dummy argument ‘xc’ at (1) [-Wunused-dummy-argument] ecp_rad_int_typ2.F:5:43: 5 | & Zbhat, Xp, Yp, Zp, Xc, | 1 Warning: Unused dummy argument ‘xp’ at (1) [-Wunused-dummy-argument] ecp_rad_int_typ2.F:4:46: 4 | & Xahat, Yahat, Zahat, Xbhat, Ybhat, | 1 Warning: Unused dummy argument ‘yahat’ at (1) [-Wunused-dummy-argument] ecp_rad_int_typ2.F:4:67: 4 | & Xahat, Yahat, Zahat, Xbhat, Ybhat, | 1 Warning: Unused dummy argument ‘ybhat’ at (1) [-Wunused-dummy-argument] ecp_rad_int_typ2.F:6:36: 6 | & Yc, Zc, CA, CB, Pc2, Fact_ab, Rad2, | 1 Warning: Unused dummy argument ‘yc’ at (1) [-Wunused-dummy-argument] ecp_rad_int_typ2.F:5:47: 5 | & Zbhat, Xp, Yp, Zp, Xc, | 1 Warning: Unused dummy argument ‘yp’ at (1) [-Wunused-dummy-argument] ecp_rad_int_typ2.F:4:53: 4 | & Xahat, Yahat, Zahat, Xbhat, Ybhat, | 1 Warning: Unused dummy argument ‘zahat’ at (1) [-Wunused-dummy-argument] ecp_rad_int_typ2.F:5:39: 5 | & Zbhat, Xp, Yp, Zp, Xc, | 1 Warning: Unused dummy argument ‘zbhat’ at (1) [-Wunused-dummy-argument] ecp_rad_int_typ2.F:6:40: 6 | & Yc, Zc, CA, CB, Pc2, Fact_ab, Rad2, | 1 Warning: Unused dummy argument ‘zc’ at (1) [-Wunused-dummy-argument] ecp_rad_int_typ2.F:5:51: 5 | & Zbhat, Xp, Yp, Zp, Xc, | 1 Warning: Unused dummy argument ‘zp’ at (1) [-Wunused-dummy-argument] ecp_rad_int_typ2.F:128:72: 128 | Aprx_Ecp = Eclim*Rc**Nplim | ^ Warning: ‘eclim’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecpdef.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecpdef.F:34:49: 33 | CALL GETREC(20,'JOBARC','NATOLD',1,NATOLD) | 2 34 | CALL GETREC(20,'JOBARC','ECPNAM',80*NATOLD,ECPNAM) | 1 Warning: Type mismatch between actual argument at (1) and actual argument at (2) (CHARACTER(80)/INTEGER(4)). ecpdef.F:23:24: 23 | CHARACTER ATOSYM*2,MTYPE(NATOMS)*(*) | 1 Warning: Unused variable ‘atosym’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecpget.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecpget.F:1:48: 1 | subroutine ecpget(npecp,cnick,natoms,ishow) | 1 Warning: Unused dummy argument ‘ishow’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecpmain.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecpmain.F:136:36: 136 | IECP_grad_int = IECP_int + (1/2)*(NAOBASIS+1)*NAOBASIS | 1 Warning: Integer division truncated to constant ‘0’ at (1) [-Winteger-division] ecpmain.F:139:44: 139 | Mem_needed = IECP_grad_int + (3/2)*(NAOBASIS+1)*NAOBASIS* | 1 Warning: Integer division truncated to constant ‘1’ at (1) [-Winteger-division] ecpmain.F:156:40: 156 | IECP_grad_int = IECP_int + (1/2)*(NAOBASIS+1)*NAOBASIS | 1 Warning: Integer division truncated to constant ‘0’ at (1) [-Winteger-division] ecpmain.F:159:37: 159 | & Ilast = IECP_grad_int + (3/2)*(NAOBASIS+1)*NAOBASIS* | 1 Warning: Integer division truncated to constant ‘1’ at (1) [-Winteger-division] ecpmain.F:139:26: 139 | Mem_needed = IECP_grad_int + (3/2)*(NAOBASIS+1)*NAOBASIS* | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] ecpmain.F:142:26: 142 | Mem_needed = IECP_grad_int | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] ecpmain.F:159:19: 159 | & Ilast = IECP_grad_int + (3/2)*(NAOBASIS+1)*NAOBASIS* | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] ecpmain.F:36:21: 36 | & COORD(3,max_shells),Cord(3,max_centers) | 1 Warning: Array ‘coord’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] ecpmain.F:28:22: 28 | & nrcstr(max_centers,Maxang,Maxjco), | 1 Warning: Array ‘nrcstr’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] ecpmain.F:27:22: 27 | & nucstr(max_centers,Maxang,Maxjco), | 1 Warning: Array ‘nucstr’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] ecpmain.F:21:20: 21 | DIMENSION WORK(Maxmem_a3), Decp_ints(1) | 1 Warning: Array ‘work’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include ecppar.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include factorial.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include factorialo.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include get_center.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include get_shell_den.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include getstr.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include gpwm.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] gpwm.F:2:35: 2 | & Lambhi, Lamau, Lambu, Alpha, Rc, Rc2, Prd, Beta1, | 1 Warning: Unused dummy argument ‘lamau’ at (1) [-Wunused-dummy-argument] gpwm.F:2:42: 2 | & Lambhi, Lamau, Lambu, Alpha, Rc, Rc2, Prd, Beta1, | 1 Warning: Unused dummy argument ‘lambu’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include iattop.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include iblank.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] iblank.F:25:72: 25 | 400 zeile(j:j)=zeile(i+j:i+j) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 400 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include insmem.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include lstr.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include make_bc_cacb_xyz.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include make_bc_pq_xyz.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include make_ftab.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include make_res.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include make_xyz.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include make_ztab.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include mat_reorder.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include oedecp__xyz_to_ry_ab.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include oedecp__xyz_to_ry_matrix.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oedecp__xyz_to_ry_matrix.F:404:72: 404 | D = D / (XK - XT) | ^ Warning: ‘xk’ may be used uninitialized in this function [-Wmaybe-uninitialized] oedecp__xyz_to_ry_matrix.F:374:72: 374 | A = A / X | ^ Warning: ‘a’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include prepareecp.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] prepareecp.F:1:41: 1 | subroutine prepareecp(Coord, Charge, Idexatom, Natoms, | 1 Warning: Unused dummy argument ‘charge’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include qcomp.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include qcomp_38D.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include qcomp_38D_odd.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] f951: Warning: Nonconforming tab character in column 1 of line 29 [-Wtabs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include qcomp_sps.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] qcomp_sps.F:64:72: 64 | if(mod(n+l,2).eq.0) prefac=prefac*sqpi2/dsqrt(alpha+alpha) | ^ Warning: ‘sqpi2’ may be used uninitialized [-Wmaybe-uninitialized] qcomp_sps.F:38:72: 38 | return | ^ Warning: ‘__result_qcomp_sps’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include qpasy.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] qpasy.F:36:72: 36 | 16 do 90 lamb=lmblo,lmbhi | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1) qpasy.F:78:72: 78 | 38 fctr(nrev)=fctr(nrev-2) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 38 at (1) qpasy.F:88:72: 88 | 42 sum(nrev)=sum(nrev)+term(nrev) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 42 at (1) qpasy.F:102:72: 102 | 46 sum(nrev)=sum(nrev)+term(nrev) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 46 at (1) qpasy.F:104:72: 104 | 48 if(term(n).gt.accrcy*sum(n)) go to 30 | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 48 at (1) qpasy.F:111:72: 111 | 66 prefac=prefac/alp | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 66 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include radint_recur.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include rdebbs.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] rdebbs.F:70:9: 70 | if(iact.gt.0) scr(1:isucc)=' ' | ^ Warning: ‘iact’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include rdecp.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include screen_ang_typ1.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include screen_ang_typ2.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include set_gradpoints.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include set_lmn.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:35:29: 35 | Parameter(Rint_cutoff = 25.32838, Eps1 = 1.0D-15, Tol=46.0561) | 1 Warning: Change of value in conversion from ‘REAL(4)’ to ‘INTEGER(4)’ at (1) [-Wconversion] ecp.par:35:46: 35 | Parameter(Rint_cutoff = 25.32838, Eps1 = 1.0D-15, Tol=46.0561) | 1 Warning: Change of value in conversion from ‘REAL(8)’ to ‘INTEGER(4)’ at (1) [-Wconversion] ecp.par:35:60: 35 | Parameter(Rint_cutoff = 25.32838, Eps1 = 1.0D-15, Tol=46.0561) | 1 Warning: Change of value in conversion from ‘REAL(4)’ to ‘INTEGER(4)’ at (1) [-Wconversion] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include set_rst.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:35:29: 35 | Parameter(Rint_cutoff = 25.32838, Eps1 = 1.0D-15, Tol=46.0561) | 1 Warning: Change of value in conversion from ‘REAL(4)’ to ‘INTEGER(4)’ at (1) [-Wconversion] ecp.par:35:46: 35 | Parameter(Rint_cutoff = 25.32838, Eps1 = 1.0D-15, Tol=46.0561) | 1 Warning: Change of value in conversion from ‘REAL(8)’ to ‘INTEGER(4)’ at (1) [-Wconversion] ecp.par:35:60: 35 | Parameter(Rint_cutoff = 25.32838, Eps1 = 1.0D-15, Tol=46.0561) | 1 Warning: Change of value in conversion from ‘REAL(4)’ to ‘INTEGER(4)’ at (1) [-Wconversion] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include sps.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ecp.par:17:48: 17 | Parameter(Maxangpwr=(Maxang+1)**2,Lmnpwr=(((Maxang*(Maxang+2)* | 1 Warning: Integer division truncated to constant ‘200’ at (1) [-Winteger-division] ecp.par:31:31: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:31:44: 31 | Parameter(Imap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:31: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] ecp.par:33:44: 33 | Parameter(Dmap_L=((Maxang/2+1)*(Maxang/2+2)*(2*Maxang+1))) | 1 Warning: Integer division truncated to constant ‘3’ at (1) [-Winteger-division] sps.F:80:72: 80 | 16 do 90 lamb=lmblo,lmbhi | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1) sps.F:170:72: 170 | 48 if(term(n).gt.accrcy*sum(n)) go to 30 | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 48 at (1) sps.F:181:72: 181 | 66 prefac=prefac/alp | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 66 at (1) sps.F:2:57: 2 | & Lamblo, Lambhi, Lamau, Lambu, Alpha2, | 1 Warning: Unused dummy argument ‘alpha2’ at (1) [-Wunused-dummy-argument] sps.F:2:42: 2 | & Lamblo, Lambhi, Lamau, Lambu, Alpha2, | 1 Warning: Unused dummy argument ‘lamau’ at (1) [-Wunused-dummy-argument] sps.F:2:49: 2 | & Lamblo, Lambhi, Lamau, Lambu, Alpha2, | 1 Warning: Unused dummy argument ‘lambu’ at (1) [-Wunused-dummy-argument] sps.F:118:10: 118 | 22 nlo2=nlo+2 | ^ Warning: ‘nlo2’ may be used uninitialized in this function [-Wmaybe-uninitialized] sps.F:174:72: 174 | 62 prefac=prd*xka**la1/sqalp**(npi+nlo+la1) | ^ Warning: ‘la1’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include symeqv.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] symeqv.F:23:51: 22 | CALL GETREC(20,'JOBARC','COMPNORB',ISIZE,IORBIT) | 2 23 | CALL GETREC(20,'JOBARC','COMPMEMB',NTOTATOMS,MEMBER) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) symeqv.F:25:48: 22 | CALL GETREC(20,'JOBARC','COMPNORB',ISIZE,IORBIT) | 2 ...... 25 | CALL GETREC(20,'JOBARC','COMPPOPV',IORBIT,ORBPOP) | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (scalar and rank-1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include wisch.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] wisch.F:1:29: 1 | subroutine wisch(line,n) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include wrecp.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] wrecp.F:45:72: 45 | 100 write(iunit,911) clp(k),nlp(k),zlp(k) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 100 at (1) wrecp.F:53:72: 53 | 300 write(iunit,911) clp(k),nlp(k),zlp(k) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 300 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include write_ecpgrdint_2disk.F f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpicc -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -g -Wall -O2 -I../../../../sia/include -I../../a2driver/aces2/include -I$MPIHOME/include dzero.c ar rv libecplib.a a3_ecp_basis_init.o a3_ecp_basis_init_4grd.o a3_ecp_grdint_driver.o a3_ecp_grdint_main.o a3_ecp_int_driver.o a3_ecp_main.o a3_ecp_set4_grdint.o a3_ecpgrd_int.o ang_int.o atgrep.o bess.o binomial_coefs.o chrges.o dfactorial.o ecp_ang_int2.o ecp_ang_int_typ1.o ecp_ang_int_typ2.o ecp_grdint.o ecp_grdint_4prim.o ecp_init.o ecp_int.o ecp_int_4prim.o ecp_int_4shell.o ecp_int_typ1.o ecp_int_typ2.o ecp_molread.o ecp_rad_int_typ1.o ecp_rad_int_typ2.o ecpdef.o ecpget.o ecpmain.o ecppar.o factorial.o factorialo.o get_center.o get_shell_den.o getstr.o gpwm.o iattop.o iblank.o insmem.o lstr.o make_bc_cacb_xyz.o make_bc_pq_xyz.o make_ftab.o make_res.o make_xyz.o make_ztab.o mat_reorder.o oedecp__xyz_to_ry_ab.o oedecp__xyz_to_ry_matrix.o prepareecp.o qcomp.o qcomp_38D.o qcomp_38D_odd.o qcomp_sps.o qpasy.o radint_recur.o rdebbs.o rdecp.o screen_ang_typ1.o screen_ang_typ2.o set_gradpoints.o set_lmn.o set_rst.o sps.o symeqv.o wisch.o wrecp.o write_ecpgrdint_2disk.o dzero.o ar: creating libecplib.a a - a3_ecp_basis_init.o a - a3_ecp_basis_init_4grd.o a - a3_ecp_grdint_driver.o a - a3_ecp_grdint_main.o a - a3_ecp_int_driver.o a - a3_ecp_main.o a - a3_ecp_set4_grdint.o a - a3_ecpgrd_int.o a - ang_int.o a - atgrep.o a - bess.o a - binomial_coefs.o a - chrges.o a - dfactorial.o a - ecp_ang_int2.o a - ecp_ang_int_typ1.o a - ecp_ang_int_typ2.o a - ecp_grdint.o a - ecp_grdint_4prim.o a - ecp_init.o a - ecp_int.o a - ecp_int_4prim.o a - ecp_int_4shell.o a - ecp_int_typ1.o a - ecp_int_typ2.o a - ecp_molread.o a - ecp_rad_int_typ1.o a - ecp_rad_int_typ2.o a - ecpdef.o a - ecpget.o a - ecpmain.o a - ecppar.o a - factorial.o a - factorialo.o a - get_center.o a - get_shell_den.o a - getstr.o a - gpwm.o a - iattop.o a - iblank.o a - insmem.o a - lstr.o a - make_bc_cacb_xyz.o a - make_bc_pq_xyz.o a - make_ftab.o a - make_res.o a - make_xyz.o a - make_ztab.o a - mat_reorder.o a - oedecp__xyz_to_ry_ab.o a - oedecp__xyz_to_ry_matrix.o a - prepareecp.o a - qcomp.o a - qcomp_38D.o a - qcomp_38D_odd.o a - qcomp_sps.o a - qpasy.o a - radint_recur.o a - rdebbs.o a - rdecp.o a - screen_ang_typ1.o a - screen_ang_typ2.o a - set_gradpoints.o a - set_lmn.o a - set_rst.o a - sps.o a - symeqv.o a - wisch.o a - wrecp.o a - write_ecpgrdint_2disk.o a - dzero.o cp libecplib.a ../../../../../lib/libecp.a rm -f make.out make.err make[6]: Leaving directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/ecp' make[6]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/erd' rm -f make.out make.err mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__1111_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__1111_def_blocks.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__1111_def_blocks.F:340:22: 340 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] erd__1111_def_blocks.F:341:22: 341 | POW2KL = DLOG ( DFLOAT (MKL) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] erd__1111_def_blocks.F:20:35: 20 | + NRS,NTU,NRSTU, | 1 Warning: Unused dummy argument ‘ntu’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__2d_abcd_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__2d_abcd_integrals.F:343:72: 343 | DO 236 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 236 at (1) erd__2d_abcd_integrals.F:344:72: 344 | DO 236 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 236 at (1) erd__2d_abcd_integrals.F:374:72: 374 | DO 246 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 246 at (1) erd__2d_abcd_integrals.F:375:72: 375 | DO 246 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 246 at (1) erd__2d_abcd_integrals.F:462:72: 462 | DO 336 I = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 336 at (1) erd__2d_abcd_integrals.F:463:72: 463 | DO 336 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 336 at (1) erd__2d_abcd_integrals.F:493:72: 493 | DO 346 I = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 346 at (1) erd__2d_abcd_integrals.F:494:72: 494 | DO 346 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 346 at (1) erd__2d_abcd_integrals.F:632:72: 632 | DO 440 J = 1,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 440 at (1) erd__2d_abcd_integrals.F:643:72: 643 | DO 443 J = 1,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 443 at (1) erd__2d_abcd_integrals.F:663:72: 663 | DO 450 J = 1,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 450 at (1) erd__2d_abcd_integrals.F:674:72: 674 | DO 453 J = 1,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 453 at (1) erd__2d_abcd_integrals.F:707:72: 707 | DO 462 I = 0,SHELLI | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 462 at (1) erd__2d_abcd_integrals.F:708:72: 708 | DO 462 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 462 at (1) erd__2d_abcd_integrals.F:719:72: 719 | DO 465 I = 0,SHELLI | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 465 at (1) erd__2d_abcd_integrals.F:720:72: 720 | DO 465 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 465 at (1) erd__2d_abcd_integrals.F:738:72: 738 | DO 472 I = 0,SHELLI | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 472 at (1) erd__2d_abcd_integrals.F:739:72: 739 | DO 472 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 472 at (1) erd__2d_abcd_integrals.F:751:72: 751 | DO 475 I = 0,SHELLI | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 475 at (1) erd__2d_abcd_integrals.F:752:72: 752 | DO 475 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 475 at (1) erd__2d_abcd_integrals.F:774:72: 774 | DO 480 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 480 at (1) erd__2d_abcd_integrals.F:775:72: 775 | DO 480 J = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 480 at (1) erd__2d_abcd_integrals.F:776:72: 776 | DO 480 I = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 480 at (1) erd__2d_abcd_integrals.F:777:72: 777 | DO 480 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 480 at (1) erd__2d_abcd_integrals.F:784:72: 784 | DO 482 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 482 at (1) erd__2d_abcd_integrals.F:785:72: 785 | DO 482 J = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 482 at (1) erd__2d_abcd_integrals.F:786:72: 786 | DO 482 I = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 482 at (1) erd__2d_abcd_integrals.F:787:72: 787 | DO 482 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 482 at (1) erd__2d_abcd_integrals.F:794:72: 794 | DO 484 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 484 at (1) erd__2d_abcd_integrals.F:795:72: 795 | DO 484 J = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 484 at (1) erd__2d_abcd_integrals.F:796:72: 796 | DO 484 I = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 484 at (1) erd__2d_abcd_integrals.F:797:72: 797 | DO 484 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 484 at (1) erd__2d_abcd_integrals.F:804:72: 804 | DO 486 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 486 at (1) erd__2d_abcd_integrals.F:805:72: 805 | DO 486 J = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 486 at (1) erd__2d_abcd_integrals.F:806:72: 806 | DO 486 I = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 486 at (1) erd__2d_abcd_integrals.F:807:72: 807 | DO 486 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 486 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__2d_atom_coefficients.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__2d_atom_pq_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__2d_coefficients.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__2d_derv_abcd_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__2d_derv_abcd_integrals.F:125:72: 125 | DO 100 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1) erd__2d_derv_abcd_integrals.F:126:72: 126 | DO 100 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1) erd__2d_derv_abcd_integrals.F:127:72: 127 | DO 100 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1) erd__2d_derv_abcd_integrals.F:134:72: 134 | DO 110 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 110 at (1) erd__2d_derv_abcd_integrals.F:135:72: 135 | DO 110 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 110 at (1) erd__2d_derv_abcd_integrals.F:136:72: 136 | DO 110 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 110 at (1) erd__2d_derv_abcd_integrals.F:145:72: 145 | DO 120 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 120 at (1) erd__2d_derv_abcd_integrals.F:146:72: 146 | DO 120 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 120 at (1) erd__2d_derv_abcd_integrals.F:181:72: 181 | DO 200 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 200 at (1) erd__2d_derv_abcd_integrals.F:182:72: 182 | DO 200 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 200 at (1) erd__2d_derv_abcd_integrals.F:183:72: 183 | DO 200 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 200 at (1) erd__2d_derv_abcd_integrals.F:190:72: 190 | DO 210 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 210 at (1) erd__2d_derv_abcd_integrals.F:192:72: 192 | DO 212 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 212 at (1) erd__2d_derv_abcd_integrals.F:196:72: 196 | DO 214 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 214 at (1) erd__2d_derv_abcd_integrals.F:205:72: 205 | DO 220 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 220 at (1) erd__2d_derv_abcd_integrals.F:207:72: 207 | DO 222 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 222 at (1) erd__2d_derv_abcd_integrals.F:211:72: 211 | DO 224 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 224 at (1) erd__2d_derv_abcd_integrals.F:220:72: 220 | DO 228 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 228 at (1) erd__2d_derv_abcd_integrals.F:237:72: 237 | DO 230 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 230 at (1) erd__2d_derv_abcd_integrals.F:238:72: 238 | DO 230 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 230 at (1) erd__2d_derv_abcd_integrals.F:239:72: 239 | DO 230 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 230 at (1) erd__2d_derv_abcd_integrals.F:247:72: 247 | DO 240 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 240 at (1) erd__2d_derv_abcd_integrals.F:249:72: 249 | DO 242 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 242 at (1) erd__2d_derv_abcd_integrals.F:254:72: 254 | DO 244 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 244 at (1) erd__2d_derv_abcd_integrals.F:264:72: 264 | DO 250 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 250 at (1) erd__2d_derv_abcd_integrals.F:266:72: 266 | DO 252 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 252 at (1) erd__2d_derv_abcd_integrals.F:271:72: 271 | DO 254 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 254 at (1) erd__2d_derv_abcd_integrals.F:281:72: 281 | DO 258 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 258 at (1) erd__2d_derv_abcd_integrals.F:307:72: 307 | DO 300 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 300 at (1) erd__2d_derv_abcd_integrals.F:308:72: 308 | DO 300 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 300 at (1) erd__2d_derv_abcd_integrals.F:309:72: 309 | DO 300 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 300 at (1) erd__2d_derv_abcd_integrals.F:317:72: 317 | DO 312 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 312 at (1) erd__2d_derv_abcd_integrals.F:318:72: 318 | DO 312 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 312 at (1) erd__2d_derv_abcd_integrals.F:322:72: 322 | DO 314 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 314 at (1) erd__2d_derv_abcd_integrals.F:323:72: 323 | DO 314 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 314 at (1) erd__2d_derv_abcd_integrals.F:333:72: 333 | DO 322 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 322 at (1) erd__2d_derv_abcd_integrals.F:334:72: 334 | DO 322 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 322 at (1) erd__2d_derv_abcd_integrals.F:338:72: 338 | DO 324 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 324 at (1) erd__2d_derv_abcd_integrals.F:339:72: 339 | DO 324 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 324 at (1) erd__2d_derv_abcd_integrals.F:348:72: 348 | DO 328 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 328 at (1) erd__2d_derv_abcd_integrals.F:349:72: 349 | DO 328 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 328 at (1) erd__2d_derv_abcd_integrals.F:366:72: 366 | DO 330 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 330 at (1) erd__2d_derv_abcd_integrals.F:367:72: 367 | DO 330 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 330 at (1) erd__2d_derv_abcd_integrals.F:368:72: 368 | DO 330 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 330 at (1) erd__2d_derv_abcd_integrals.F:377:72: 377 | DO 342 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 342 at (1) erd__2d_derv_abcd_integrals.F:378:72: 378 | DO 342 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 342 at (1) erd__2d_derv_abcd_integrals.F:383:72: 383 | DO 344 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 344 at (1) erd__2d_derv_abcd_integrals.F:384:72: 384 | DO 344 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 344 at (1) erd__2d_derv_abcd_integrals.F:395:72: 395 | DO 352 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 352 at (1) erd__2d_derv_abcd_integrals.F:396:72: 396 | DO 352 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 352 at (1) erd__2d_derv_abcd_integrals.F:401:72: 401 | DO 354 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 354 at (1) erd__2d_derv_abcd_integrals.F:402:72: 402 | DO 354 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 354 at (1) erd__2d_derv_abcd_integrals.F:412:72: 412 | DO 358 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 358 at (1) erd__2d_derv_abcd_integrals.F:413:72: 413 | DO 358 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 358 at (1) erd__2d_derv_abcd_integrals.F:439:72: 439 | DO 400 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 400 at (1) erd__2d_derv_abcd_integrals.F:440:72: 440 | DO 400 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 400 at (1) erd__2d_derv_abcd_integrals.F:441:72: 441 | DO 400 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 400 at (1) erd__2d_derv_abcd_integrals.F:448:72: 448 | DO 410 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 410 at (1) erd__2d_derv_abcd_integrals.F:449:72: 449 | DO 410 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 410 at (1) erd__2d_derv_abcd_integrals.F:450:72: 450 | DO 410 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 410 at (1) erd__2d_derv_abcd_integrals.F:454:72: 454 | DO 412 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 412 at (1) erd__2d_derv_abcd_integrals.F:455:72: 455 | DO 412 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 412 at (1) erd__2d_derv_abcd_integrals.F:456:72: 456 | DO 412 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 412 at (1) erd__2d_derv_abcd_integrals.F:464:72: 464 | DO 420 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 420 at (1) erd__2d_derv_abcd_integrals.F:465:72: 465 | DO 420 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 420 at (1) erd__2d_derv_abcd_integrals.F:466:72: 466 | DO 420 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 420 at (1) erd__2d_derv_abcd_integrals.F:470:72: 470 | DO 422 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 422 at (1) erd__2d_derv_abcd_integrals.F:471:72: 471 | DO 422 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 422 at (1) erd__2d_derv_abcd_integrals.F:472:72: 472 | DO 422 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 422 at (1) erd__2d_derv_abcd_integrals.F:481:72: 481 | DO 426 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 426 at (1) erd__2d_derv_abcd_integrals.F:482:72: 482 | DO 426 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 426 at (1) erd__2d_derv_abcd_integrals.F:483:72: 483 | DO 426 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 426 at (1) erd__2d_derv_abcd_integrals.F:497:72: 497 | DO 430 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 430 at (1) erd__2d_derv_abcd_integrals.F:498:72: 498 | DO 430 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 430 at (1) erd__2d_derv_abcd_integrals.F:499:72: 499 | DO 430 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 430 at (1) erd__2d_derv_abcd_integrals.F:507:72: 507 | DO 440 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 440 at (1) erd__2d_derv_abcd_integrals.F:508:72: 508 | DO 440 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 440 at (1) erd__2d_derv_abcd_integrals.F:509:72: 509 | DO 440 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 440 at (1) erd__2d_derv_abcd_integrals.F:514:72: 514 | DO 442 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 442 at (1) erd__2d_derv_abcd_integrals.F:515:72: 515 | DO 442 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 442 at (1) erd__2d_derv_abcd_integrals.F:516:72: 516 | DO 442 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 442 at (1) erd__2d_derv_abcd_integrals.F:525:72: 525 | DO 450 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 450 at (1) erd__2d_derv_abcd_integrals.F:526:72: 526 | DO 450 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 450 at (1) erd__2d_derv_abcd_integrals.F:527:72: 527 | DO 450 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 450 at (1) erd__2d_derv_abcd_integrals.F:532:72: 532 | DO 452 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 452 at (1) erd__2d_derv_abcd_integrals.F:533:72: 533 | DO 452 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 452 at (1) erd__2d_derv_abcd_integrals.F:534:72: 534 | DO 452 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 452 at (1) erd__2d_derv_abcd_integrals.F:544:72: 544 | DO 456 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 456 at (1) erd__2d_derv_abcd_integrals.F:545:72: 545 | DO 456 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 456 at (1) erd__2d_derv_abcd_integrals.F:546:72: 546 | DO 456 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 456 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__2d_derv_pcd_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__2d_derv_pcd_integrals.F:116:72: 116 | DO 100 P = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1) erd__2d_derv_pcd_integrals.F:117:72: 117 | DO 100 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1) erd__2d_derv_pcd_integrals.F:125:72: 125 | DO 112 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 112 at (1) erd__2d_derv_pcd_integrals.F:129:72: 129 | DO 114 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 114 at (1) erd__2d_derv_pcd_integrals.F:139:72: 139 | DO 122 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 122 at (1) erd__2d_derv_pcd_integrals.F:143:72: 143 | DO 124 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 124 at (1) erd__2d_derv_pcd_integrals.F:152:72: 152 | DO 128 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 128 at (1) erd__2d_derv_pcd_integrals.F:177:72: 177 | DO 200 P = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 200 at (1) erd__2d_derv_pcd_integrals.F:178:72: 178 | DO 200 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 200 at (1) erd__2d_derv_pcd_integrals.F:185:72: 185 | DO 210 P = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 210 at (1) erd__2d_derv_pcd_integrals.F:186:72: 186 | DO 210 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 210 at (1) erd__2d_derv_pcd_integrals.F:190:72: 190 | DO 212 P = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 212 at (1) erd__2d_derv_pcd_integrals.F:191:72: 191 | DO 212 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 212 at (1) erd__2d_derv_pcd_integrals.F:199:72: 199 | DO 220 P = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 220 at (1) erd__2d_derv_pcd_integrals.F:200:72: 200 | DO 220 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 220 at (1) erd__2d_derv_pcd_integrals.F:204:72: 204 | DO 222 P = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 222 at (1) erd__2d_derv_pcd_integrals.F:205:72: 205 | DO 222 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 222 at (1) erd__2d_derv_pcd_integrals.F:214:72: 214 | DO 226 P = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 226 at (1) erd__2d_derv_pcd_integrals.F:215:72: 215 | DO 226 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 226 at (1) erd__2d_derv_pcd_integrals.F:229:72: 229 | DO 230 P = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 230 at (1) erd__2d_derv_pcd_integrals.F:230:72: 230 | DO 230 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 230 at (1) erd__2d_derv_pcd_integrals.F:238:72: 238 | DO 240 P = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 240 at (1) erd__2d_derv_pcd_integrals.F:239:72: 239 | DO 240 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 240 at (1) erd__2d_derv_pcd_integrals.F:244:72: 244 | DO 242 P = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 242 at (1) erd__2d_derv_pcd_integrals.F:245:72: 245 | DO 242 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 242 at (1) erd__2d_derv_pcd_integrals.F:254:72: 254 | DO 250 P = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 250 at (1) erd__2d_derv_pcd_integrals.F:255:72: 255 | DO 250 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 250 at (1) erd__2d_derv_pcd_integrals.F:260:72: 260 | DO 252 P = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 252 at (1) erd__2d_derv_pcd_integrals.F:261:72: 261 | DO 252 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 252 at (1) erd__2d_derv_pcd_integrals.F:271:72: 271 | DO 256 P = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 256 at (1) erd__2d_derv_pcd_integrals.F:272:72: 272 | DO 256 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 256 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__2d_pcd_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__2d_pcd_integrals.F:317:72: 317 | DO 236 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 236 at (1) erd__2d_pcd_integrals.F:318:72: 318 | DO 236 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 236 at (1) erd__2d_pcd_integrals.F:348:72: 348 | DO 246 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 246 at (1) erd__2d_pcd_integrals.F:349:72: 349 | DO 246 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 246 at (1) erd__2d_pcd_integrals.F:519:72: 519 | DO 442 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 442 at (1) erd__2d_pcd_integrals.F:530:72: 530 | DO 445 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 445 at (1) erd__2d_pcd_integrals.F:539:72: 539 | DO 446 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 446 at (1) erd__2d_pcd_integrals.F:540:72: 540 | DO 446 I = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 446 at (1) erd__2d_pcd_integrals.F:541:72: 541 | DO 446 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 446 at (1) erd__2d_pcd_integrals.F:553:72: 553 | DO 452 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 452 at (1) erd__2d_pcd_integrals.F:564:72: 564 | DO 455 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 455 at (1) erd__2d_pcd_integrals.F:573:72: 573 | DO 456 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 456 at (1) erd__2d_pcd_integrals.F:574:72: 574 | DO 456 I = 0,SHELLP | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 456 at (1) erd__2d_pcd_integrals.F:575:72: 575 | DO 456 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 456 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__2d_pq_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__atom_int2d_to_e000.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__atom_int2d_to_e0f0.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__cartesian_norms.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__csgto.F:1184:72: 1184 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__ctr_1st_half.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__ctr_2nd_half_new.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__ctr_2nd_half_update.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__ctr_4index_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__ctr_4index_reorder.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__ctr_rs_expand.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__ctr_tu_expand.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__derv_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__derv_csgto.F:1286:72: 1286 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__derv_def_blocks.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__derv_def_blocks.F:537:22: 537 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] erd__derv_def_blocks.F:538:22: 538 | POW2KL = DLOG ( DFLOAT (MKL) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] erd__derv_def_blocks.F:22:30: 22 | + NRS,NTU,NRSTU, | 1 Warning: Unused dummy argument ‘ntu’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__derv_int2d_to_0000.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__derv_int2d_to_a000.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__derv_int2d_to_ab00.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__derv_int2d_to_ab00.F:90:24: 90 | INTEGER I,J,M,N,R | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__derv_int2d_to_abc0.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__derv_int2d_to_abc0.F:89:26: 89 | INTEGER I,J,K,M,N,R | ^ Warning: ‘k’ may be used uninitialized in this function [-Wmaybe-uninitialized] erd__derv_int2d_to_abc0.F:89:24: 89 | INTEGER I,J,K,M,N,R | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__derv_int2d_to_abcd.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__derv_int2d_to_abcd.F:90:28: 90 | INTEGER I,J,K,L,M,N,R | ^ Warning: ‘l’ may be used uninitialized in this function [-Wmaybe-uninitialized] erd__derv_int2d_to_abcd.F:90:26: 90 | INTEGER I,J,K,L,M,N,R | ^ Warning: ‘k’ may be used uninitialized in this function [-Wmaybe-uninitialized] erd__derv_int2d_to_abcd.F:90:24: 90 | INTEGER I,J,K,L,M,N,R | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__derv_int2d_to_e000.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__derv_int2d_to_e0c0.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__derv_int2d_to_e0c0.F:92:24: 92 | INTEGER I,J,M,N,R | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__derv_int2d_to_e0cd.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__derv_int2d_to_e0cd.F:170:26: 170 | INTEGER I,J,K,M,N,R | ^ Warning: ‘k’ may be used uninitialized in this function [-Wmaybe-uninitialized] erd__derv_int2d_to_e0cd.F:170:24: 170 | INTEGER I,J,K,M,N,R | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__derv_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__derv_pcgto_block.F:29:39: 29 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘xb’ at (1) [-Wunused-dummy-argument] erd__derv_pcgto_block.F:29:57: 29 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘xd’ at (1) [-Wunused-dummy-argument] erd__derv_pcgto_block.F:29:42: 29 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘yb’ at (1) [-Wunused-dummy-argument] erd__derv_pcgto_block.F:29:60: 29 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘yd’ at (1) [-Wunused-dummy-argument] erd__derv_pcgto_block.F:29:45: 29 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘zb’ at (1) [-Wunused-dummy-argument] erd__derv_pcgto_block.F:29:63: 29 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘zd’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__dsqmin_line_segments.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__e0f0_def_blocks.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__e0f0_def_blocks.F:397:22: 397 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] erd__e0f0_def_blocks.F:398:22: 398 | POW2KL = DLOG ( DFLOAT (MKL) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] erd__e0f0_def_blocks.F:21:30: 21 | + NRS,NTU,NRSTU, | 1 Warning: Unused dummy argument ‘ntu’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__e0f0_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__e0f0_pcgto_block.F:25:39: 25 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘xb’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block.F:25:57: 25 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘xd’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block.F:25:42: 25 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘yb’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block.F:25:60: 25 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘yd’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block.F:25:45: 25 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘zb’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block.F:25:63: 25 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘zd’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__gener_eri_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__ftable.inc:49:53: 49 | DOUBLE PRECISION FTABLE (0:MGRID,0:NGRID) | 1 Warning: Array ‘ftable’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__gener_eri_derv_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__ftable.inc:49:53: 49 | DOUBLE PRECISION FTABLE (0:MGRID,0:NGRID) | 1 Warning: Array ‘ftable’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__hrr_matrix.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__hrr_step.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__hrr_step.F:298:72: 298 | DO 204 YA = SHELLA-XA,0,-1 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 204 at (1) erd__hrr_step.F:18:39: 18 | + NXYZX,NXYZP,NXYZA,NXYZB,NXYZAO, | 1 Warning: Unused dummy argument ‘nxyzp’ at (1) [-Wunused-dummy-argument] erd__hrr_step.F:181:22: 181 | INTEGER X,Y,Z,XO,YO,ZO | ^ Warning: ‘x’ may be used uninitialized in this function [-Wmaybe-uninitialized] erd__hrr_step.F:331:72: 331 | X = Y + 1 | ^ Warning: ‘y’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__hrr_transform.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__int2d_to_e000.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__int2d_to_e0f0.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__map_ijkl_to_ikjl.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__map_ijkl_to_ikjl.F:78:72: 78 | DO 130 K = KK,KEND | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 130 at (1) erd__map_ijkl_to_ikjl.F:79:72: 79 | DO 130 I = 1,NI | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 130 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__memory_1111_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__memory_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__memory_derv_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__memory_eri_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__memory_eri_derv_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__memory_hrr_correction.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__move_ry.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__normalize_cartesian.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__pppp_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__prepare_ctr.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__print_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__print_batch.F:59:72: 59 | DO 10 K = 1,N3 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) erd__print_batch.F:60:72: 60 | DO 10 J = 1,N2 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) erd__print_batch.F:61:72: 61 | DO 10 I = 1,N1 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__rys_1_roots_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__rys_2_roots_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__rys_3_roots_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__rys_4_roots_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__rys_5_roots_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__rys_roots_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__rys_x_roots_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__set_abcd.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__set_derv_abcd.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__set_derv_sequence.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__set_ij_kl_pairs.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__spherical_transform.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__sppp_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__sspp_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__sssp_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__ssss_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__transpose_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__transpose_batch.F:76:72: 76 | DO 120 I = II,IEND | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 120 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__xyz_to_ry_abcd.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__xyz_to_ry_matrix.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__xyz_to_ry_matrix.F:404:72: 404 | D = D / (XK - XT) | ^ Warning: ‘xk’ may be used uninitialized in this function [-Wmaybe-uninitialized] erd__xyz_to_ry_matrix.F:374:72: 374 | A = A / X | ^ Warning: ‘a’ may be used uninitialized in this function [-Wmaybe-uninitialized] ar rv liberd.a erd__1111_csgto.o erd__1111_def_blocks.o erd__2d_abcd_integrals.o erd__2d_atom_coefficients.o erd__2d_atom_pq_integrals.o erd__2d_coefficients.o erd__2d_derv_abcd_integrals.o erd__2d_derv_pcd_integrals.o erd__2d_pcd_integrals.o erd__2d_pq_integrals.o erd__atom_int2d_to_e000.o erd__atom_int2d_to_e0f0.o erd__cartesian_norms.o erd__csgto.o erd__ctr_1st_half.o erd__ctr_2nd_half_new.o erd__ctr_2nd_half_update.o erd__ctr_4index_block.o erd__ctr_4index_reorder.o erd__ctr_rs_expand.o erd__ctr_tu_expand.o erd__derv_csgto.o erd__derv_def_blocks.o erd__derv_int2d_to_0000.o erd__derv_int2d_to_a000.o erd__derv_int2d_to_ab00.o erd__derv_int2d_to_abc0.o erd__derv_int2d_to_abcd.o erd__derv_int2d_to_e000.o erd__derv_int2d_to_e0c0.o erd__derv_int2d_to_e0cd.o erd__derv_pcgto_block.o erd__dsqmin_line_segments.o erd__e0f0_def_blocks.o erd__e0f0_pcgto_block.o erd__gener_eri_batch.o erd__gener_eri_derv_batch.o erd__hrr_matrix.o erd__hrr_step.o erd__hrr_transform.o erd__int2d_to_e000.o erd__int2d_to_e0f0.o erd__map_ijkl_to_ikjl.o erd__memory_1111_csgto.o erd__memory_csgto.o erd__memory_derv_csgto.o erd__memory_eri_batch.o erd__memory_eri_derv_batch.o erd__memory_hrr_correction.o erd__move_ry.o erd__normalize_cartesian.o erd__pppp_pcgto_block.o erd__prepare_ctr.o erd__print_batch.o erd__rys_1_roots_weights.o erd__rys_2_roots_weights.o erd__rys_3_roots_weights.o erd__rys_4_roots_weights.o erd__rys_5_roots_weights.o erd__rys_roots_weights.o erd__rys_x_roots_weights.o erd__set_abcd.o erd__set_derv_abcd.o erd__set_derv_sequence.o erd__set_ij_kl_pairs.o erd__spherical_transform.o erd__sppp_pcgto_block.o erd__sspp_pcgto_block.o erd__sssp_pcgto_block.o erd__ssss_pcgto_block.o erd__transpose_batch.o erd__xyz_to_ry_abcd.o erd__xyz_to_ry_matrix.o ar: creating liberd.a a - erd__1111_csgto.o a - erd__1111_def_blocks.o a - erd__2d_abcd_integrals.o a - erd__2d_atom_coefficients.o a - erd__2d_atom_pq_integrals.o a - erd__2d_coefficients.o a - erd__2d_derv_abcd_integrals.o a - erd__2d_derv_pcd_integrals.o a - erd__2d_pcd_integrals.o a - erd__2d_pq_integrals.o a - erd__atom_int2d_to_e000.o a - erd__atom_int2d_to_e0f0.o a - erd__cartesian_norms.o a - erd__csgto.o a - erd__ctr_1st_half.o a - erd__ctr_2nd_half_new.o a - erd__ctr_2nd_half_update.o a - erd__ctr_4index_block.o a - erd__ctr_4index_reorder.o a - erd__ctr_rs_expand.o a - erd__ctr_tu_expand.o a - erd__derv_csgto.o a - erd__derv_def_blocks.o a - erd__derv_int2d_to_0000.o a - erd__derv_int2d_to_a000.o a - erd__derv_int2d_to_ab00.o a - erd__derv_int2d_to_abc0.o a - erd__derv_int2d_to_abcd.o a - erd__derv_int2d_to_e000.o a - erd__derv_int2d_to_e0c0.o a - erd__derv_int2d_to_e0cd.o a - erd__derv_pcgto_block.o a - erd__dsqmin_line_segments.o a - erd__e0f0_def_blocks.o a - erd__e0f0_pcgto_block.o a - erd__gener_eri_batch.o a - erd__gener_eri_derv_batch.o a - erd__hrr_matrix.o a - erd__hrr_step.o a - erd__hrr_transform.o a - erd__int2d_to_e000.o a - erd__int2d_to_e0f0.o a - erd__map_ijkl_to_ikjl.o a - erd__memory_1111_csgto.o a - erd__memory_csgto.o a - erd__memory_derv_csgto.o a - erd__memory_eri_batch.o a - erd__memory_eri_derv_batch.o a - erd__memory_hrr_correction.o a - erd__move_ry.o a - erd__normalize_cartesian.o a - erd__pppp_pcgto_block.o a - erd__prepare_ctr.o a - erd__print_batch.o a - erd__rys_1_roots_weights.o a - erd__rys_2_roots_weights.o a - erd__rys_3_roots_weights.o a - erd__rys_4_roots_weights.o a - erd__rys_5_roots_weights.o a - erd__rys_roots_weights.o a - erd__rys_x_roots_weights.o a - erd__set_abcd.o a - erd__set_derv_abcd.o a - erd__set_derv_sequence.o a - erd__set_ij_kl_pairs.o a - erd__spherical_transform.o a - erd__sppp_pcgto_block.o a - erd__sspp_pcgto_block.o a - erd__sssp_pcgto_block.o a - erd__ssss_pcgto_block.o a - erd__transpose_batch.o a - erd__xyz_to_ry_abcd.o a - erd__xyz_to_ry_matrix.o cp liberd.a ../../../../../lib/liberd.a rm -f make.out make.err make[6]: Leaving directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/erd' make[6]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/erd_F12' rm -f make.out make.err mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include module.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] module.F90:3:27: 3 | double precision w(32400) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:2:27: 2 | double precision x(32400) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:8:27: 8 | double precision w(64800) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:7:27: 7 | double precision x(64800) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:13:27: 13 | double precision w(97200) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:12:27: 12 | double precision x(97200) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:18:27: 18 | double precision w(78400) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:17:27: 17 | double precision x(78400) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:23:27: 23 | double precision w(98000) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:22:27: 22 | double precision x(98000) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:28:28: 28 | double precision w(117600) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:27:28: 27 | double precision x(117600) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:33:28: 33 | double precision w(137200) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:32:28: 32 | double precision x(137200) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:38:28: 38 | double precision w(259200) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:37:28: 37 | double precision x(259200) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:43:28: 43 | double precision w(291600) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:42:28: 42 | double precision x(291600) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:48:28: 48 | double precision w(196000) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:47:28: 47 | double precision x(196000) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:53:28: 53 | double precision w(215600) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:52:28: 52 | double precision x(215600) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:58:28: 58 | double precision w(235200) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:57:28: 57 | double precision x(235200) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:63:28: 63 | double precision w(254800) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:62:28: 62 | double precision x(254800) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:68:28: 68 | double precision w(453600) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:67:28: 67 | double precision x(453600) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__2d_abcd_integrals_k12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__2d_abcd_integrals_k12.F:342:72: 342 | DO 236 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 236 at (1) erd__2d_abcd_integrals_k12.F:343:72: 343 | DO 236 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 236 at (1) erd__2d_abcd_integrals_k12.F:373:72: 373 | DO 246 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 246 at (1) erd__2d_abcd_integrals_k12.F:374:72: 374 | DO 246 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 246 at (1) erd__2d_abcd_integrals_k12.F:460:72: 460 | DO 336 I = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 336 at (1) erd__2d_abcd_integrals_k12.F:461:72: 461 | DO 336 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 336 at (1) erd__2d_abcd_integrals_k12.F:491:72: 491 | DO 346 I = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 346 at (1) erd__2d_abcd_integrals_k12.F:492:72: 492 | DO 346 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 346 at (1) erd__2d_abcd_integrals_k12.F:630:72: 630 | DO 440 J = 1,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 440 at (1) erd__2d_abcd_integrals_k12.F:641:72: 641 | DO 443 J = 1,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 443 at (1) erd__2d_abcd_integrals_k12.F:661:72: 661 | DO 450 J = 1,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 450 at (1) erd__2d_abcd_integrals_k12.F:672:72: 672 | DO 453 J = 1,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 453 at (1) erd__2d_abcd_integrals_k12.F:705:72: 705 | DO 462 I = 0,SHELLI | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 462 at (1) erd__2d_abcd_integrals_k12.F:706:72: 706 | DO 462 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 462 at (1) erd__2d_abcd_integrals_k12.F:717:72: 717 | DO 465 I = 0,SHELLI | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 465 at (1) erd__2d_abcd_integrals_k12.F:718:72: 718 | DO 465 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 465 at (1) erd__2d_abcd_integrals_k12.F:736:72: 736 | DO 472 I = 0,SHELLI | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 472 at (1) erd__2d_abcd_integrals_k12.F:737:72: 737 | DO 472 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 472 at (1) erd__2d_abcd_integrals_k12.F:749:72: 749 | DO 475 I = 0,SHELLI | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 475 at (1) erd__2d_abcd_integrals_k12.F:750:72: 750 | DO 475 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 475 at (1) erd__2d_abcd_integrals_k12.F:772:72: 772 | DO 480 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 480 at (1) erd__2d_abcd_integrals_k12.F:773:72: 773 | DO 480 J = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 480 at (1) erd__2d_abcd_integrals_k12.F:774:72: 774 | DO 480 I = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 480 at (1) erd__2d_abcd_integrals_k12.F:775:72: 775 | DO 480 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 480 at (1) erd__2d_abcd_integrals_k12.F:782:72: 782 | DO 482 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 482 at (1) erd__2d_abcd_integrals_k12.F:783:72: 783 | DO 482 J = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 482 at (1) erd__2d_abcd_integrals_k12.F:784:72: 784 | DO 482 I = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 482 at (1) erd__2d_abcd_integrals_k12.F:785:72: 785 | DO 482 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 482 at (1) erd__2d_abcd_integrals_k12.F:792:72: 792 | DO 484 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 484 at (1) erd__2d_abcd_integrals_k12.F:793:72: 793 | DO 484 J = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 484 at (1) erd__2d_abcd_integrals_k12.F:794:72: 794 | DO 484 I = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 484 at (1) erd__2d_abcd_integrals_k12.F:795:72: 795 | DO 484 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 484 at (1) erd__2d_abcd_integrals_k12.F:802:72: 802 | DO 486 K = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 486 at (1) erd__2d_abcd_integrals_k12.F:803:72: 803 | DO 486 J = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 486 at (1) erd__2d_abcd_integrals_k12.F:804:72: 804 | DO 486 I = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 486 at (1) erd__2d_abcd_integrals_k12.F:805:72: 805 | DO 486 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 486 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__2d_atom_pq_integrals_yukawa.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__2d_atom_pq_integrals_yukawa.F:88:22: 88 | INTEGER I,J,K,N | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__2d_k12_abcd_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__2d_k12_abcd_integrals.F:178:72: 178 | DO 100 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1) erd__2d_k12_abcd_integrals.F:179:72: 179 | DO 100 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1) erd__2d_k12_abcd_integrals.F:180:72: 180 | DO 100 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1) erd__2d_k12_abcd_integrals.F:186:72: 186 | DO 110 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 110 at (1) erd__2d_k12_abcd_integrals.F:187:72: 187 | DO 110 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 110 at (1) erd__2d_k12_abcd_integrals.F:188:72: 188 | DO 110 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 110 at (1) erd__2d_k12_abcd_integrals.F:197:72: 197 | DO 120 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 120 at (1) erd__2d_k12_abcd_integrals.F:198:72: 198 | DO 120 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 120 at (1) erd__2d_k12_abcd_integrals.F:236:72: 236 | DO 200 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 200 at (1) erd__2d_k12_abcd_integrals.F:237:72: 237 | DO 200 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 200 at (1) erd__2d_k12_abcd_integrals.F:238:72: 238 | DO 200 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 200 at (1) erd__2d_k12_abcd_integrals.F:245:72: 245 | DO 210 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 210 at (1) erd__2d_k12_abcd_integrals.F:247:72: 247 | DO 212 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 212 at (1) erd__2d_k12_abcd_integrals.F:251:72: 251 | DO 214 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 214 at (1) erd__2d_k12_abcd_integrals.F:260:72: 260 | DO 220 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 220 at (1) erd__2d_k12_abcd_integrals.F:262:72: 262 | DO 222 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 222 at (1) erd__2d_k12_abcd_integrals.F:266:72: 266 | DO 224 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 224 at (1) erd__2d_k12_abcd_integrals.F:275:72: 275 | DO 228 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 228 at (1) erd__2d_k12_abcd_integrals.F:292:72: 292 | DO 230 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 230 at (1) erd__2d_k12_abcd_integrals.F:293:72: 293 | DO 230 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 230 at (1) erd__2d_k12_abcd_integrals.F:294:72: 294 | DO 230 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 230 at (1) erd__2d_k12_abcd_integrals.F:302:72: 302 | DO 240 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 240 at (1) erd__2d_k12_abcd_integrals.F:304:72: 304 | DO 242 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 242 at (1) erd__2d_k12_abcd_integrals.F:309:72: 309 | DO 244 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 244 at (1) erd__2d_k12_abcd_integrals.F:319:72: 319 | DO 250 C = 0,SHELLC | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 250 at (1) erd__2d_k12_abcd_integrals.F:321:72: 321 | DO 252 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 252 at (1) erd__2d_k12_abcd_integrals.F:326:72: 326 | DO 254 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 254 at (1) erd__2d_k12_abcd_integrals.F:336:72: 336 | DO 258 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 258 at (1) erd__2d_k12_abcd_integrals.F:366:72: 366 | DO 300 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 300 at (1) erd__2d_k12_abcd_integrals.F:367:72: 367 | DO 300 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 300 at (1) erd__2d_k12_abcd_integrals.F:368:72: 368 | DO 300 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 300 at (1) erd__2d_k12_abcd_integrals.F:376:72: 376 | DO 312 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 312 at (1) erd__2d_k12_abcd_integrals.F:377:72: 377 | DO 312 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 312 at (1) erd__2d_k12_abcd_integrals.F:381:72: 381 | DO 314 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 314 at (1) erd__2d_k12_abcd_integrals.F:382:72: 382 | DO 314 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 314 at (1) erd__2d_k12_abcd_integrals.F:392:72: 392 | DO 322 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 322 at (1) erd__2d_k12_abcd_integrals.F:393:72: 393 | DO 322 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 322 at (1) erd__2d_k12_abcd_integrals.F:397:72: 397 | DO 324 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 324 at (1) erd__2d_k12_abcd_integrals.F:398:72: 398 | DO 324 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 324 at (1) erd__2d_k12_abcd_integrals.F:407:72: 407 | DO 328 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 328 at (1) erd__2d_k12_abcd_integrals.F:408:72: 408 | DO 328 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 328 at (1) erd__2d_k12_abcd_integrals.F:425:72: 425 | DO 330 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 330 at (1) erd__2d_k12_abcd_integrals.F:426:72: 426 | DO 330 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 330 at (1) erd__2d_k12_abcd_integrals.F:427:72: 427 | DO 330 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 330 at (1) erd__2d_k12_abcd_integrals.F:436:72: 436 | DO 342 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 342 at (1) erd__2d_k12_abcd_integrals.F:437:72: 437 | DO 342 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 342 at (1) erd__2d_k12_abcd_integrals.F:442:72: 442 | DO 344 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 344 at (1) erd__2d_k12_abcd_integrals.F:443:72: 443 | DO 344 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 344 at (1) erd__2d_k12_abcd_integrals.F:454:72: 454 | DO 352 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 352 at (1) erd__2d_k12_abcd_integrals.F:455:72: 455 | DO 352 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 352 at (1) erd__2d_k12_abcd_integrals.F:460:72: 460 | DO 354 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 354 at (1) erd__2d_k12_abcd_integrals.F:461:72: 461 | DO 354 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 354 at (1) erd__2d_k12_abcd_integrals.F:471:72: 471 | DO 358 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 358 at (1) erd__2d_k12_abcd_integrals.F:472:72: 472 | DO 358 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 358 at (1) erd__2d_k12_abcd_integrals.F:502:72: 502 | DO 400 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 400 at (1) erd__2d_k12_abcd_integrals.F:503:72: 503 | DO 400 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 400 at (1) erd__2d_k12_abcd_integrals.F:504:72: 504 | DO 400 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 400 at (1) erd__2d_k12_abcd_integrals.F:512:72: 512 | DO 410 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 410 at (1) erd__2d_k12_abcd_integrals.F:513:72: 513 | DO 410 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 410 at (1) erd__2d_k12_abcd_integrals.F:514:72: 514 | DO 410 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 410 at (1) erd__2d_k12_abcd_integrals.F:519:72: 519 | DO 412 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 412 at (1) erd__2d_k12_abcd_integrals.F:520:72: 520 | DO 412 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 412 at (1) erd__2d_k12_abcd_integrals.F:521:72: 521 | DO 412 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 412 at (1) erd__2d_k12_abcd_integrals.F:531:72: 531 | DO 420 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 420 at (1) erd__2d_k12_abcd_integrals.F:532:72: 532 | DO 420 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 420 at (1) erd__2d_k12_abcd_integrals.F:533:72: 533 | DO 420 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 420 at (1) erd__2d_k12_abcd_integrals.F:537:72: 537 | DO 422 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 422 at (1) erd__2d_k12_abcd_integrals.F:538:72: 538 | DO 422 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 422 at (1) erd__2d_k12_abcd_integrals.F:539:72: 539 | DO 422 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 422 at (1) erd__2d_k12_abcd_integrals.F:548:72: 548 | DO 426 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 426 at (1) erd__2d_k12_abcd_integrals.F:549:72: 549 | DO 426 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 426 at (1) erd__2d_k12_abcd_integrals.F:550:72: 550 | DO 426 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 426 at (1) erd__2d_k12_abcd_integrals.F:564:72: 564 | DO 430 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 430 at (1) erd__2d_k12_abcd_integrals.F:565:72: 565 | DO 430 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 430 at (1) erd__2d_k12_abcd_integrals.F:566:72: 566 | DO 430 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 430 at (1) erd__2d_k12_abcd_integrals.F:574:72: 574 | DO 440 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 440 at (1) erd__2d_k12_abcd_integrals.F:575:72: 575 | DO 440 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 440 at (1) erd__2d_k12_abcd_integrals.F:576:72: 576 | DO 440 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 440 at (1) erd__2d_k12_abcd_integrals.F:581:72: 581 | DO 442 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 442 at (1) erd__2d_k12_abcd_integrals.F:582:72: 582 | DO 442 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 442 at (1) erd__2d_k12_abcd_integrals.F:583:72: 583 | DO 442 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 442 at (1) erd__2d_k12_abcd_integrals.F:592:72: 592 | DO 450 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 450 at (1) erd__2d_k12_abcd_integrals.F:593:72: 593 | DO 450 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 450 at (1) erd__2d_k12_abcd_integrals.F:594:72: 594 | DO 450 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 450 at (1) erd__2d_k12_abcd_integrals.F:599:72: 599 | DO 452 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 452 at (1) erd__2d_k12_abcd_integrals.F:600:72: 600 | DO 452 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 452 at (1) erd__2d_k12_abcd_integrals.F:601:72: 601 | DO 452 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 452 at (1) erd__2d_k12_abcd_integrals.F:611:72: 611 | DO 456 B = 0,SHELLB | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 456 at (1) erd__2d_k12_abcd_integrals.F:612:72: 612 | DO 456 A = 0,SHELLA | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 456 at (1) erd__2d_k12_abcd_integrals.F:613:72: 613 | DO 456 N = 1,NGQEXQ | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 456 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__atom_int2d_to_e000_f12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__atom_int2d_to_e000_yukawa.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__atom_int2d_to_e0f0_f12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__atom_int2d_to_e0f0_yukawa.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__csgto_f12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__csgto_f12.F:1206:72: 1206 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__csgto_yukawa.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__csgto_yukawa.F:577:4: 577 | 3333 continue | 1 Warning: Label 3333 at (1) defined but not used [-Wunused-label] erd__csgto_yukawa.F:1248:4: 1248 | 2222 continue | 1 Warning: Label 2222 at (1) defined but not used [-Wunused-label] erd__csgto_yukawa.F:1207:72: 1207 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__e0f0_def_blocks_yukawa.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__e0f0_def_blocks_yukawa.F:395:22: 395 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] erd__e0f0_def_blocks_yukawa.F:396:22: 396 | POW2KL = DLOG ( DFLOAT (MKL) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] erd__e0f0_def_blocks_yukawa.F:7:30: 7 | + NRS,NTU,NRSTU, | 1 Warning: Unused dummy argument ‘ntu’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__e0f0_pcgto_block_f12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__e0f0_pcgto_block_f12.F:11:39: 11 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘xb’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block_f12.F:11:57: 11 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘xd’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block_f12.F:11:42: 11 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘yb’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block_f12.F:11:60: 11 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘yd’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block_f12.F:11:45: 11 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘zb’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block_f12.F:11:63: 11 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘zd’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__e0f0_pcgto_block_yukawa.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__e0f0_pcgto_block_yukawa.F:11:39: 11 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘xb’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block_yukawa.F:11:57: 11 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘xd’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block_yukawa.F:11:42: 11 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘yb’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block_yukawa.F:11:60: 11 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘yd’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block_yukawa.F:11:45: 11 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘zb’ at (1) [-Wunused-dummy-argument] erd__e0f0_pcgto_block_yukawa.F:11:63: 11 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘zd’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__gener_f12_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__ftable.inc:60:53: 60 | DOUBLE PRECISION FTABLE (0:MGRID,0:NGRID) | 1 Warning: Array ‘ftable’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] erd__gener_f12_batch.F:92:33: 92 | INTEGER IMAX,ZMAX,ii | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__gener_k12_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__ftable.inc:60:53: 60 | DOUBLE PRECISION FTABLE (0:MGRID,0:NGRID) | 1 Warning: Array ‘ftable’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__gener_yukawa_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__ftable.inc:60:53: 60 | DOUBLE PRECISION FTABLE (0:MGRID,0:NGRID) | 1 Warning: Array ‘ftable’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] erd__gener_yukawa_batch.F:94:33: 94 | INTEGER IMAX,ZMAX,ii | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__int2d_to_e000_f12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__int2d_to_e000_yukawa.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__int2d_to_e0f0_f12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__int2d_to_e0f0_yukawa.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__k12_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__k12_csgto.F:1353:4: 1353 | 4567 continue | 1 Warning: Label 4567 at (1) defined but not used [-Wunused-label] erd__k12_csgto.F:249:29: 249 | INTEGER IN,OUT,I | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] erd__k12_csgto.F:1310:72: 1310 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__k12_def_blocks.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__k12_def_blocks.F:537:22: 537 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] erd__k12_def_blocks.F:538:22: 538 | POW2KL = DLOG ( DFLOAT (MKL) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] erd__k12_def_blocks.F:8:30: 8 | + NRS,NTU,NRSTU, | 1 Warning: Unused dummy argument ‘ntu’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__k12_int2d_to_0000.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__k12_int2d_to_a000.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__k12_int2d_to_a000.F:812:5: 812 | 11111 continue | 1 Warning: Label 11111 at (1) defined but not used [-Wunused-label] erd__k12_int2d_to_a000.F:84:31: 84 | INTEGER I,M,N,R,i1,i2 | 1 Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] erd__k12_int2d_to_a000.F:84:34: 84 | INTEGER I,M,N,R,i1,i2 | 1 Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__k12_int2d_to_ab00.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__k12_int2d_to_ab00.F:87:24: 87 | INTEGER I,J,M,N,R | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__k12_int2d_to_abc0.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__k12_int2d_to_abc0.F:86:35: 86 | INTEGER I,J,K,M,N,R,i1,i2,i3,i4 | 1 Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] erd__k12_int2d_to_abc0.F:86:38: 86 | INTEGER I,J,K,M,N,R,i1,i2,i3,i4 | 1 Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable] erd__k12_int2d_to_abc0.F:86:41: 86 | INTEGER I,J,K,M,N,R,i1,i2,i3,i4 | 1 Warning: Unused variable ‘i3’ declared at (1) [-Wunused-variable] erd__k12_int2d_to_abc0.F:86:44: 86 | INTEGER I,J,K,M,N,R,i1,i2,i3,i4 | 1 Warning: Unused variable ‘i4’ declared at (1) [-Wunused-variable] erd__k12_int2d_to_abc0.F:86:26: 86 | INTEGER I,J,K,M,N,R,i1,i2,i3,i4 | ^ Warning: ‘k’ may be used uninitialized in this function [-Wmaybe-uninitialized] erd__k12_int2d_to_abc0.F:86:24: 86 | INTEGER I,J,K,M,N,R,i1,i2,i3,i4 | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] erd__k12_int2d_to_abc0.F:86:22: 86 | INTEGER I,J,K,M,N,R,i1,i2,i3,i4 | ^ Warning: ‘i’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__k12_int2d_to_abcd.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__k12_int2d_to_abcd.F:88:28: 88 | INTEGER I,J,K,L,M,N,R | ^ Warning: ‘l’ may be used uninitialized in this function [-Wmaybe-uninitialized] erd__k12_int2d_to_abcd.F:88:26: 88 | INTEGER I,J,K,L,M,N,R | ^ Warning: ‘k’ may be used uninitialized in this function [-Wmaybe-uninitialized] erd__k12_int2d_to_abcd.F:88:24: 88 | INTEGER I,J,K,L,M,N,R | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__k12_int2d_to_e000.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__k12_int2d_to_e0c0.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__k12_int2d_to_e0c0.F:89:24: 89 | INTEGER I,J,M,N,R | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__k12_int2d_to_e0cd.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__k12_int2d_to_e0cd.F:167:26: 167 | INTEGER I,J,K,M,N,R | ^ Warning: ‘k’ may be used uninitialized in this function [-Wmaybe-uninitialized] erd__k12_int2d_to_e0cd.F:167:24: 167 | INTEGER I,J,K,M,N,R | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__memory_derv_csgto_k12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__memory_eri_derv_k12_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__rys_roots_weights_yukawa.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__rys_roots_weights_yukawa.F:7:29: 7 | + A,B, | 1 Warning: Unused dummy argument ‘a’ at (1) [-Wunused-dummy-argument] erd__rys_roots_weights_yukawa.F:7:31: 7 | + A,B, | 1 Warning: Unused dummy argument ‘b’ at (1) [-Wunused-dummy-argument] erd__rys_roots_weights_yukawa.F:112:33: 112 | DOUBLE PRECISION DELTA,STGEXP | 1 Warning: Unused variable ‘delta’ declared at (1) [-Wunused-variable] erd__rys_roots_weights_yukawa.F:9:31: 9 | + DIA,OFF, | 1 Warning: Unused dummy argument ‘dia’ at (1) [-Wunused-dummy-argument] erd__rys_roots_weights_yukawa.F:6:34: 6 | + FTABLE,MGRID,NGRID,TMAX,TSTEP,TVSTEP, | 1 Warning: Unused dummy argument ‘ftable’ at (1) [-Wunused-dummy-argument] erd__rys_roots_weights_yukawa.F:105:23: 105 | INTEGER N,I,K,L | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] erd__rys_roots_weights_yukawa.F:105:25: 105 | INTEGER N,I,K,L | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] erd__rys_roots_weights_yukawa.F:105:27: 105 | INTEGER N,I,K,L | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] erd__rys_roots_weights_yukawa.F:8:31: 8 | + MOM, | 1 Warning: Unused dummy argument ‘mom’ at (1) [-Wunused-dummy-argument] erd__rys_roots_weights_yukawa.F:105:21: 105 | INTEGER N,I,K,L | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] erd__rys_roots_weights_yukawa.F:9:35: 9 | + DIA,OFF, | 1 Warning: Unused dummy argument ‘off’ at (1) [-Wunused-dummy-argument] erd__rys_roots_weights_yukawa.F:10:32: 10 | + ROW1,ROW2, | 1 Warning: Unused dummy argument ‘row1’ at (1) [-Wunused-dummy-argument] erd__rys_roots_weights_yukawa.F:10:37: 10 | + ROW1,ROW2, | 1 Warning: Unused dummy argument ‘row2’ at (1) [-Wunused-dummy-argument] erd__rys_roots_weights_yukawa.F:5:45: 5 | + TVAL,UVAL,RYSZERO, | 1 Warning: Unused dummy argument ‘ryszero’ at (1) [-Wunused-dummy-argument] erd__rys_roots_weights_yukawa.F:112:40: 112 | DOUBLE PRECISION DELTA,STGEXP | 1 Warning: Unused variable ‘stgexp’ declared at (1) [-Wunused-variable] erd__rys_roots_weights_yukawa.F:113:29: 113 | DOUBLE PRECISION T,TMAX,TSTEP,TVSTEP | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] erd__rys_roots_weights_yukawa.F:110:25: 110 | INTEGER TGRID | 1 Warning: Unused variable ‘tgrid’ declared at (1) [-Wunused-variable] erd__rys_roots_weights_yukawa.F:6:51: 6 | + FTABLE,MGRID,NGRID,TMAX,TSTEP,TVSTEP, | 1 Warning: Unused dummy argument ‘tmax’ at (1) [-Wunused-dummy-argument] erd__rys_roots_weights_yukawa.F:6:57: 6 | + FTABLE,MGRID,NGRID,TMAX,TSTEP,TVSTEP, | 1 Warning: Unused dummy argument ‘tstep’ at (1) [-Wunused-dummy-argument] erd__rys_roots_weights_yukawa.F:6:64: 6 | + FTABLE,MGRID,NGRID,TMAX,TSTEP,TVSTEP, | 1 Warning: Unused dummy argument ‘tvstep’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__rys_x_roots_weights_yukawa.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd__rys_x_roots_weights_yukawa.F:6:29: 6 | + A,B, | 1 Warning: Unused dummy argument ‘a’ at (1) [-Wunused-dummy-argument] erd__rys_x_roots_weights_yukawa.F:6:31: 6 | + A,B, | 1 Warning: Unused dummy argument ‘b’ at (1) [-Wunused-dummy-argument] erd__rys_x_roots_weights_yukawa.F:99:32: 99 | DOUBLE PRECISION BINC,SINC,STGEXP | 1 Warning: Unused variable ‘binc’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:98:29: 98 | DOUBLE PRECISION C,D,F,G,P,R,S | 1 Warning: Unused variable ‘c’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:98:31: 98 | DOUBLE PRECISION C,D,F,G,P,R,S | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:8:31: 8 | + DIA,OFF, | 1 Warning: Unused dummy argument ‘dia’ at (1) [-Wunused-dummy-argument] erd__rys_x_roots_weights_yukawa.F:98:33: 98 | DOUBLE PRECISION C,D,F,G,P,R,S | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:98:35: 98 | DOUBLE PRECISION C,D,F,G,P,R,S | 1 Warning: Unused variable ‘g’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:87:21: 87 | INTEGER I,J,M,N | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:88:24: 88 | INTEGER IMAX,JMAX | 1 Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:89:23: 89 | INTEGER IP1,JP1 | 1 Warning: Unused variable ‘ip1’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:90:24: 90 | INTEGER ITER | 1 Warning: Unused variable ‘iter’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:87:23: 87 | INTEGER I,J,M,N | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:88:29: 88 | INTEGER IMAX,JMAX | 1 Warning: Unused variable ‘jmax’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:89:27: 89 | INTEGER IP1,JP1 | 1 Warning: Unused variable ‘jp1’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:100:32: 100 | DOUBLE PRECISION LIM1,LIM2,LIM3 | 1 Warning: Unused variable ‘lim1’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:100:37: 100 | DOUBLE PRECISION LIM1,LIM2,LIM3 | 1 Warning: Unused variable ‘lim2’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:100:42: 100 | DOUBLE PRECISION LIM1,LIM2,LIM3 | 1 Warning: Unused variable ‘lim3’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:87:25: 87 | INTEGER I,J,M,N | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:7:31: 7 | + MOM, | 1 Warning: Unused dummy argument ‘mom’ at (1) [-Wunused-dummy-argument] erd__rys_x_roots_weights_yukawa.F:101:32: 101 | DOUBLE PRECISION MOMI,MOMIM1,MOMIP1,MOMZERO | 1 Warning: Unused variable ‘momi’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:101:39: 101 | DOUBLE PRECISION MOMI,MOMIM1,MOMIP1,MOMZERO | 1 Warning: Unused variable ‘momim1’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:101:46: 101 | DOUBLE PRECISION MOMI,MOMIM1,MOMIP1,MOMZERO | 1 Warning: Unused variable ‘momip1’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:101:54: 101 | DOUBLE PRECISION MOMI,MOMIM1,MOMIP1,MOMZERO | 1 Warning: Unused variable ‘momzero’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:87:27: 87 | INTEGER I,J,M,N | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:95:24: 95 | INTEGER NRTS | 1 Warning: Unused variable ‘nrts’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:8:35: 8 | + DIA,OFF, | 1 Warning: Unused dummy argument ‘off’ at (1) [-Wunused-dummy-argument] erd__rys_x_roots_weights_yukawa.F:98:37: 98 | DOUBLE PRECISION C,D,F,G,P,R,S | 1 Warning: Unused variable ‘p’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:98:39: 98 | DOUBLE PRECISION C,D,F,G,P,R,S | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:102:30: 102 | DOUBLE PRECISION R1 | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:103:32: 103 | DOUBLE PRECISION ROOT | 1 Warning: Unused variable ‘root’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:9:32: 9 | + ROW1,ROW2, | 1 Warning: Unused dummy argument ‘row1’ at (1) [-Wunused-dummy-argument] erd__rys_x_roots_weights_yukawa.F:9:37: 9 | + ROW1,ROW2, | 1 Warning: Unused dummy argument ‘row2’ at (1) [-Wunused-dummy-argument] erd__rys_x_roots_weights_yukawa.F:11:41: 11 | + RTS, | 1 Warning: Unused dummy argument ‘rts’ at (1) [-Wunused-dummy-argument] erd__rys_x_roots_weights_yukawa.F:5:45: 5 | + TVAL,UVAL,RYSZERO, | 1 Warning: Unused dummy argument ‘ryszero’ at (1) [-Wunused-dummy-argument] erd__rys_x_roots_weights_yukawa.F:98:41: 98 | DOUBLE PRECISION C,D,F,G,P,R,S | 1 Warning: Unused variable ‘s’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:104:33: 104 | DOUBLE PRECISION SCALE | 1 Warning: Unused variable ‘scale’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:105:33: 105 | DOUBLE PRECISION SIGMA,THETA | 1 Warning: Unused variable ‘sigma’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:99:37: 99 | DOUBLE PRECISION BINC,SINC,STGEXP | 1 Warning: Unused variable ‘sinc’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:99:44: 99 | DOUBLE PRECISION BINC,SINC,STGEXP | 1 Warning: Unused variable ‘stgexp’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:106:29: 106 | DOUBLE PRECISION T,TINV,TINV2,TINVHF,TINVSQ,TEXP,TPOWER | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:107:33: 107 | DOUBLE PRECISION TEST1,TEST2 | 1 Warning: Unused variable ‘test1’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:107:39: 107 | DOUBLE PRECISION TEST1,TEST2 | 1 Warning: Unused variable ‘test2’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:106:59: 106 | DOUBLE PRECISION T,TINV,TINV2,TINVHF,TINVSQ,TEXP,TPOWER | 1 Warning: Unused variable ‘texp’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:105:39: 105 | DOUBLE PRECISION SIGMA,THETA | 1 Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:106:34: 106 | DOUBLE PRECISION T,TINV,TINV2,TINVHF,TINVSQ,TEXP,TPOWER | 1 Warning: Unused variable ‘tinv’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:106:40: 106 | DOUBLE PRECISION T,TINV,TINV2,TINVHF,TINVSQ,TEXP,TPOWER | 1 Warning: Unused variable ‘tinv2’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:106:47: 106 | DOUBLE PRECISION T,TINV,TINV2,TINVHF,TINVSQ,TEXP,TPOWER | 1 Warning: Unused variable ‘tinvhf’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:106:54: 106 | DOUBLE PRECISION T,TINV,TINV2,TINVHF,TINVSQ,TEXP,TPOWER | 1 Warning: Unused variable ‘tinvsq’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:106:66: 106 | DOUBLE PRECISION T,TINV,TINV2,TINVHF,TINVSQ,TEXP,TPOWER | 1 Warning: Unused variable ‘tpower’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:5:32: 5 | + TVAL,UVAL,RYSZERO, | 1 Warning: Unused dummy argument ‘tval’ at (1) [-Wunused-dummy-argument] erd__rys_x_roots_weights_yukawa.F:5:37: 5 | + TVAL,UVAL,RYSZERO, | 1 Warning: Unused dummy argument ‘uval’ at (1) [-Wunused-dummy-argument] erd__rys_x_roots_weights_yukawa.F:12:41: 12 | + WTS ) | 1 Warning: Unused dummy argument ‘wts’ at (1) [-Wunused-dummy-argument] erd__rys_x_roots_weights_yukawa.F:108:37: 108 | DOUBLE PRECISION ZMOM,ZINV | 1 Warning: Unused variable ‘zinv’ declared at (1) [-Wunused-variable] erd__rys_x_roots_weights_yukawa.F:108:32: 108 | DOUBLE PRECISION ZMOM,ZINV | 1 Warning: Unused variable ‘zmom’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd__set_k12_abcd.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include erd_k12_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] erd_k12_pcgto_block.F:2169:4: 2169 | 9999 continue | 1 Warning: Label 9999 at (1) defined but not used [-Wunused-label] erd_k12_pcgto_block.F:1826:4: 1826 | 8888 continue | 1 Warning: Label 8888 at (1) defined but not used [-Wunused-label] erd_k12_pcgto_block.F:1484:4: 1484 | 7777 continue | 1 Warning: Label 7777 at (1) defined but not used [-Wunused-label] erd_k12_pcgto_block.F:2170:4: 2170 | 6789 continue | 1 Warning: Label 6789 at (1) defined but not used [-Wunused-label] erd_k12_pcgto_block.F:1412:4: 1412 | 5555 continue | 1 Warning: Label 5555 at (1) defined but not used [-Wunused-label] erd_k12_pcgto_block.F:320:36: 320 | INTEGER I,J,K,L,M,N,A,B,C,D,i10 | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] erd_k12_pcgto_block.F:320:38: 320 | INTEGER I,J,K,L,M,N,A,B,C,D,i10 | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] erd_k12_pcgto_block.F:320:40: 320 | INTEGER I,J,K,L,M,N,A,B,C,D,i10 | 1 Warning: Unused variable ‘c’ declared at (1) [-Wunused-variable] erd_k12_pcgto_block.F:320:42: 320 | INTEGER I,J,K,L,M,N,A,B,C,D,i10 | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] erd_k12_pcgto_block.F:15:39: 15 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘xb’ at (1) [-Wunused-dummy-argument] erd_k12_pcgto_block.F:15:57: 15 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘xd’ at (1) [-Wunused-dummy-argument] erd_k12_pcgto_block.F:15:42: 15 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘yb’ at (1) [-Wunused-dummy-argument] erd_k12_pcgto_block.F:15:60: 15 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘yd’ at (1) [-Wunused-dummy-argument] erd_k12_pcgto_block.F:15:45: 15 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘zb’ at (1) [-Wunused-dummy-argument] erd_k12_pcgto_block.F:15:63: 15 | + XA,YA,ZA,XB,YB,ZB,XC,YC,ZC,XD,YD,ZD, | 1 Warning: Unused dummy argument ‘zd’ at (1) [-Wunused-dummy-argument] erd_k12_pcgto_block.F:715:72: 715 | + | ^ Warning: ‘g060’ is used uninitialized [-Wuninitialized] erd_k12_pcgto_block.F:715:72: Warning: ‘g050’ is used uninitialized [-Wuninitialized] erd_k12_pcgto_block.F:715:72: Warning: ‘g040’ is used uninitialized [-Wuninitialized] erd_k12_pcgto_block.F:715:72: Warning: ‘g030’ is used uninitialized [-Wuninitialized] erd_k12_pcgto_block.F:715:72: Warning: ‘g020’ is used uninitialized [-Wuninitialized] erd_k12_pcgto_block.F:715:72: Warning: ‘g010’ is used uninitialized [-Wuninitialized] erd_k12_pcgto_block.F:715:72: Warning: ‘g000’ is used uninitialized [-Wuninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include root1.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] root1.F90:65434:13: 65434 | it = tt | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root1.F90:65438:13: 65438 | iu = uu + 7 ! 0 <= iu <= 9 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root1.F90:64757:10: 64757 | use rank1 | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root1.F90:64757:10: 64757 | use rank1 | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root1.F90:65414:21: 65414 | integer i, j, k, n, offset, it, iu, of(1) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include root10.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] root10.F90:392634:13: 392634 | it = tt | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root10.F90:392638:13: 392638 | iu = uu + 7 ! 0 <= iu <= 9 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root10.F90:388685:10: 388685 | use rank10 | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root10.F90:388685:10: 388685 | use rank10 | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root10.F90:392614:21: 392614 | integer i, j, k, n, offset, it, iu, of(10) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include root11.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] root11.F90:431834:13: 431834 | it = tt | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root11.F90:431838:13: 431838 | iu = uu + 7 ! 0 <= iu <= 9 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root11.F90:427493:10: 427493 | use rank11 | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root11.F90:427493:10: 427493 | use rank11 | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root11.F90:431814:21: 431814 | integer i, j, k, n, offset, it, iu, of(11) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include root12.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] root12.F90:471034:13: 471034 | it = tt | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root12.F90:471038:13: 471038 | iu = uu + 7 ! 0 <= iu <= 9 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root12.F90:466301:10: 466301 | use rank12 | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root12.F90:466301:10: 466301 | use rank12 | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root12.F90:471014:21: 471014 | integer i, j, k, n, offset, it, iu, of(12) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include root13.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] root13.F90:510234:13: 510234 | it = tt | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root13.F90:510238:13: 510238 | iu = uu + 7 ! 0 <= iu <= 9 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root13.F90:505109:10: 505109 | use rank13 | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root13.F90:505109:10: 505109 | use rank13 | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root13.F90:510214:21: 510214 | integer i, j, k, n, offset, it, iu, of(13) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include root14.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] root14.F90:907834:13: 907834 | it = tt | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root14.F90:907838:13: 907838 | iu = uu + 7 ! 0 <= iu <= 9 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root14.F90:898733:10: 898733 | use rank14 | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root14.F90:898733:10: 898733 | use rank14 | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root14.F90:907814:21: 907814 | integer i, j, k, n, offset, it, iu, of(14) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include root2.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] root2.F90:130234:13: 130234 | it = tt | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root2.F90:130238:13: 130238 | iu = uu + 7 ! 0 <= iu <= 9 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root2.F90:128909:10: 128909 | use rank2 | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root2.F90:128909:10: 128909 | use rank2 | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root2.F90:130214:21: 130214 | integer i, j, k, n, offset, it, iu, of(2) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include root3.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] root3.F90:195034:13: 195034 | it = tt | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root3.F90:195038:13: 195038 | iu = uu + 7 ! 0 <= iu <= 9 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root3.F90:193061:10: 193061 | use rank3 | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root3.F90:193061:10: 193061 | use rank3 | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root3.F90:195014:21: 195014 | integer i, j, k, n, offset, it, iu, of(3) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include root4.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] root4.F90:157434:13: 157434 | it = tt | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root4.F90:157438:13: 157438 | iu = uu + 7 ! 0 <= iu <= 9 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root4.F90:155837:10: 155837 | use rank4 | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root4.F90:155837:10: 155837 | use rank4 | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root4.F90:157414:21: 157414 | integer i, j, k, n, offset, it, iu, of(4) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include root5.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] root5.F90:196634:13: 196634 | it = tt | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root5.F90:196638:13: 196638 | iu = uu + 7 ! 0 <= iu <= 9 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root5.F90:194645:10: 194645 | use rank5 | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root5.F90:194645:10: 194645 | use rank5 | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root5.F90:196614:21: 196614 | integer i, j, k, n, offset, it, iu, of(5) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include root6.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] root6.F90:235834:13: 235834 | it = tt | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root6.F90:235838:13: 235838 | iu = uu + 7 ! 0 <= iu <= 9 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root6.F90:233453:10: 233453 | use rank6 | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root6.F90:233453:10: 233453 | use rank6 | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root6.F90:235814:21: 235814 | integer i, j, k, n, offset, it, iu, of(6) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include root7.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] root7.F90:275034:13: 275034 | it = tt | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root7.F90:275038:13: 275038 | iu = uu + 7 ! 0 <= iu <= 9 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root7.F90:272261:10: 272261 | use rank7 | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root7.F90:272261:10: 272261 | use rank7 | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root7.F90:275014:21: 275014 | integer i, j, k, n, offset, it, iu, of(7) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include root8.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] root8.F90:519034:13: 519034 | it = tt | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root8.F90:519038:13: 519038 | iu = uu + 7 ! 0 <= iu <= 9 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root8.F90:513821:10: 513821 | use rank8 | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root8.F90:513821:10: 513821 | use rank8 | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root8.F90:519014:21: 519014 | integer i, j, k, n, offset, it, iu, of(8) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include root9.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] root9.F90:583834:13: 583834 | it = tt | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root9.F90:583838:13: 583838 | iu = uu + 7 ! 0 <= iu <= 9 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] root9.F90:577973:10: 577973 | use rank9 | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root9.F90:577973:10: 577973 | use rank9 | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] root9.F90:583814:21: 583814 | integer i, j, k, n, offset, it, iu, of(9) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ar rv liberd_F12.a erd__2d_abcd_integrals_k12.o erd__2d_atom_pq_integrals_yukawa.o erd__2d_k12_abcd_integrals.o erd__atom_int2d_to_e000_f12.o erd__atom_int2d_to_e000_yukawa.o erd__atom_int2d_to_e0f0_f12.o erd__atom_int2d_to_e0f0_yukawa.o erd__csgto_f12.o erd__csgto_yukawa.o erd__e0f0_def_blocks_yukawa.o erd__e0f0_pcgto_block_f12.o erd__e0f0_pcgto_block_yukawa.o erd__gener_f12_batch.o erd__gener_k12_batch.o erd__gener_yukawa_batch.o erd__int2d_to_e000_f12.o erd__int2d_to_e000_yukawa.o erd__int2d_to_e0f0_f12.o erd__int2d_to_e0f0_yukawa.o erd__k12_csgto.o erd__k12_def_blocks.o erd__k12_int2d_to_0000.o erd__k12_int2d_to_a000.o erd__k12_int2d_to_ab00.o erd__k12_int2d_to_abc0.o erd__k12_int2d_to_abcd.o erd__k12_int2d_to_e000.o erd__k12_int2d_to_e0c0.o erd__k12_int2d_to_e0cd.o erd__memory_derv_csgto_k12.o erd__memory_eri_derv_k12_batch.o erd__rys_roots_weights_yukawa.o erd__rys_x_roots_weights_yukawa.o erd__set_k12_abcd.o erd_k12_pcgto_block.o module.F90 root1.F90 root10.F90 root11.F90 root12.F90 root13.F90 root14.F90 root2.F90 root3.F90 root4.F90 root5.F90 root6.F90 root7.F90 root8.F90 root9.F90 module.o root1.o root10.o root11.o root12.o root13.o root14.o root2.o root3.o root4.o root5.o root6.o root7.o root8.o root9.o ar: creating liberd_F12.a a - erd__2d_abcd_integrals_k12.o a - erd__2d_atom_pq_integrals_yukawa.o a - erd__2d_k12_abcd_integrals.o a - erd__atom_int2d_to_e000_f12.o a - erd__atom_int2d_to_e000_yukawa.o a - erd__atom_int2d_to_e0f0_f12.o a - erd__atom_int2d_to_e0f0_yukawa.o a - erd__csgto_f12.o a - erd__csgto_yukawa.o a - erd__e0f0_def_blocks_yukawa.o a - erd__e0f0_pcgto_block_f12.o a - erd__e0f0_pcgto_block_yukawa.o a - erd__gener_f12_batch.o a - erd__gener_k12_batch.o a - erd__gener_yukawa_batch.o a - erd__int2d_to_e000_f12.o a - erd__int2d_to_e000_yukawa.o a - erd__int2d_to_e0f0_f12.o a - erd__int2d_to_e0f0_yukawa.o a - erd__k12_csgto.o a - erd__k12_def_blocks.o a - erd__k12_int2d_to_0000.o a - erd__k12_int2d_to_a000.o a - erd__k12_int2d_to_ab00.o a - erd__k12_int2d_to_abc0.o a - erd__k12_int2d_to_abcd.o a - erd__k12_int2d_to_e000.o a - erd__k12_int2d_to_e0c0.o a - erd__k12_int2d_to_e0cd.o a - erd__memory_derv_csgto_k12.o a - erd__memory_eri_derv_k12_batch.o a - erd__rys_roots_weights_yukawa.o a - erd__rys_x_roots_weights_yukawa.o a - erd__set_k12_abcd.o a - erd_k12_pcgto_block.o a - module.F90 a - root1.F90 a - root10.F90 a - root11.F90 a - root12.F90 a - root13.F90 a - root14.F90 a - root2.F90 a - root3.F90 a - root4.F90 a - root5.F90 a - root6.F90 a - root7.F90 a - root8.F90 a - root9.F90 a - module.o a - root1.o a - root10.o a - root11.o a - root12.o a - root13.o a - root14.o a - root2.o a - root3.o a - root4.o a - root5.o a - root6.o a - root7.o a - root8.o a - root9.o cp liberd_F12.a ../../../../../lib/liberd_F12.a rm -f make.out make.err make[6]: Leaving directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/erd_F12' make[6]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/nlo' rm -f make.out make.err mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include dacosd.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] dacosd.F:16:6: 16 | double precision function dacosd(angle_in_radians) | 1 Warning: ‘dacosd’ declared at (1) is also the name of an intrinsic. It can only be called via an explicit interface or if declared EXTERNAL. [-Wintrinsic-shadow] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__balance_symmetric_matrix.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__blockdiag_real_symmetric.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__c_eq_a_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__c_eq_a_times_b_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__c_eq_a_times_bt_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__c_eq_at_times_b_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__c_eq_c_times_a_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__c_eq_c_transposed_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__c_eq_orthotran_diag.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__c_eq_orthotran_offdiag.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__c_eq_unit_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__c_eq_zero_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__c_eq_zero_integer.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__ct_eq_at_times_b_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__dgemm_c_eq_atxb_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mat__dgemm_c_eq_atxb_float.F:83:48: 83 | DOUBLE PRECISION ASUB (1:SUMB,1:ROWB) | 1 Warning: Array ‘asub’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__dgemm_c_eq_axb_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mat__dgemm_c_eq_axb_float.F:87:48: 87 | DOUBLE PRECISION ASUB (1:SUMB,1:ROWB) | 1 Warning: Array ‘asub’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__dgemm_c_eq_axbt_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mat__dgemm_c_eq_axbt_float.F:86:48: 86 | DOUBLE PRECISION BSUB (1:SUMB,1:COLB) | 1 Warning: Array ‘bsub’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__dgemm_ct_eq_atxb_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mat__dgemm_ct_eq_atxb_float.F:88:48: 88 | DOUBLE PRECISION ASUB (1:SUMB,1:ROWB) | 1 Warning: Array ‘asub’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__diagonalize_real_symmetric.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mat__diagonalize_real_symmetric.F:162:72: 162 | IF (L) 140,140,20 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) mat__diagonalize_real_symmetric.F:174:72: 174 | 50 IF (H) 140,140,60 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) mat__diagonalize_real_symmetric.F:180:72: 180 | IF (F) 75,75,70 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) mat__diagonalize_real_symmetric.F:231:72: 231 | IF ( D(I) ) 200,200,170 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) mat__diagonalize_real_symmetric.F:276:72: 276 | IF (P) 270,280,280 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) mat__diagonalize_real_symmetric.F:225:5: 225 | 160 D (1) = X (1,1) | 1 Warning: Label 160 at (1) defined but not used [-Wunused-label] mat__diagonalize_real_symmetric.F:171:5: 171 | 40 H = 0.D0 | 1 Warning: Label 40 at (1) defined but not used [-Wunused-label] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__gen_eigsys_real_symmetric.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mat__gen_eigsys_real_symmetric.F:242:72: 242 | DO 400 I = J,N | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 400 at (1) mat__gen_eigsys_real_symmetric.F:260:72: 260 | DO 700 J = I,N | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 700 at (1) mat__gen_eigsys_real_symmetric.F:282:72: 282 | DO 800 I = N,1,-1 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 800 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__orthotran_minimax_1_norm.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mat__orthotran_minimax_1_norm.F:454:72: 454 | ROOT2 = - HALF * (R + DSQRT (R*R + SIXTEEN)) | ^ Warning: ‘r’ may be used uninitialized in this function [-Wmaybe-uninitialized] mat__orthotran_minimax_1_norm.F:605:72: 605 | A = C1 * T (N,I) - S1 * T (N,J) | ^ Warning: ‘i’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__print_a_float_12_nozeros.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__print_a_float_18_nozeros.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__print_a_float_3_nozeros.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__print_a_float_5_nozeros.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__print_a_integer_nozeros.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__print_v_float_12_nozeros.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__print_v_float_5_nozeros.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__print_v_integer_nozeros.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__reorder_matrix_columns.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__reorder_vector_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__reorder_vector_integer.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__w_eq_u_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__w_eq_zero_float.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include mat__w_eq_zero_integer.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__accept_atoms_bond_search.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__analyze_bond_order_matrix.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__analyze_nao_orbitals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__analyze_nao_orbitals.F:18:41: 18 | + MXSHELL,MXNAL, | 1 Warning: Unused dummy argument ‘mxnal’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__analyze_rings.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__analyze_rings.F:18:29: 18 | + R, | 1 Warning: Unused dummy argument ‘r’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__angular_momentum_nbo.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__calc_interaction_order.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__characterize_nho_space.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__characterize_nho_space.F:36:48: 36 | + ATNCB,ATCIDX,ATCOFF, | 1 Warning: Unused dummy argument ‘atcidx’ at (1) [-Wunused-dummy-argument] nlo__characterize_nho_space.F:36:55: 36 | + ATNCB,ATCIDX,ATCOFF, | 1 Warning: Unused dummy argument ‘atcoff’ at (1) [-Wunused-dummy-argument] nlo__characterize_nho_space.F:36:41: 36 | + ATNCB,ATCIDX,ATCOFF, | 1 Warning: Unused dummy argument ‘atncb’ at (1) [-Wunused-dummy-argument] nlo__characterize_nho_space.F:30:49: 30 | + HSHELL,CSHELL,RSHELL, | 1 Warning: Unused dummy argument ‘cshell’ at (1) [-Wunused-dummy-argument] nlo__characterize_nho_space.F:34:39: 34 | + NCA, | 1 Warning: Unused dummy argument ‘nca’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__check_coplanarity.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__check_coplanarity.F:175:29: 175 | IF ((K.NE.I).AND.(K.NE.J)) THEN | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] nlo__check_coplanarity.F:175:29: Warning: ‘i’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__check_linear_dependency.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__check_linear_dependency.F:104:72: 104 | DO 100 I = J,COL | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 100 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__check_nho_all_x_centers.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__check_nho_x_centers.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__close_files.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__compare_vector_pairs.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__complete_nho_space.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__complete_nho_space.F:390:29: 291 | + ATHIDX,ATNHB,ATHOFF, | 2 ...... 390 | + ATOM,ATNHB,ATHOFF, | 1 Warning: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__denormalize_coeff_matrix.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__determine_orbital_locality.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__extract_atomic_content.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__find_2deg_axial_rotmat.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__find_axial_rotation_matrix.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__find_axial_rotation_matrix.F:280:72: 280 | Y = THIRD * (ONE - COSINE) + SQR3TH * SINE | ^ Warning: ‘sine’ may be used uninitialized in this function [-Wmaybe-uninitialized] nlo__find_axial_rotation_matrix.F:280:72: Warning: ‘cosine’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__find_rotation_nbo_indices.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__find_rotation_nbo_indices.F:329:72: 329 | SYMLST = SETMAX * SYMSIZE | ^ Warning: ‘setmax’ may be used uninitialized in this function [-Wmaybe-uninitialized] nlo__find_rotation_nbo_indices.F:261:27: 261 | IF (ATX.EQ.SYMCEN (N)) THEN | ^ Warning: ‘atx’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__form_atomic_nonvalence_nbo.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__form_atomic_nonvalence_nho.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__form_l_sitesym_coeffs.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__form_m_averaged_matrix.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__form_m_expanded_coeffs.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__form_m_expanded_matrix.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__form_m_expanded_matrix.F:198:72: 198 | DO 10 I = J,N | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) nlo__form_m_expanded_matrix.F:231:72: 231 | DO 210 K = L,M | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 210 at (1) nlo__form_m_expanded_matrix.F:247:72: 247 | DO 20 I = 1,N | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 20 at (1) nlo__form_m_expanded_matrix.F:280:72: 280 | DO 410 K = 1,M | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 410 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__form_m_expanded_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__form_nbo_x_centers.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__form_nho_hybrid_pattern.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__form_sd2_nbo.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__form_sp2_nbo.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__form_sp2_pair_nbo.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__gener_nao_orbitals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__gener_nbo_orbitals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__gener_nbo_orbitals.F:23:40: 23 | + ATNCB,ATCIDX,ATCOFF, | 1 Warning: Unused dummy argument ‘atcidx’ at (1) [-Wunused-dummy-argument] nlo__gener_nbo_orbitals.F:24:40: 24 | + ATNRB,ATRIDX,ATROFF, | 1 Warning: Unused dummy argument ‘atridx’ at (1) [-Wunused-dummy-argument] nlo__gener_nbo_orbitals.F:25:34: 25 | + BASBEG,BASEND, | 1 Warning: Unused dummy argument ‘basbeg’ at (1) [-Wunused-dummy-argument] nlo__gener_nbo_orbitals.F:25:41: 25 | + BASBEG,BASEND, | 1 Warning: Unused dummy argument ‘basend’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__gener_nho_orbitals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__gener_nlmo_orbitals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__gener_nlo_orbitals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__gener_pre_nao_orbitals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__gener_pre_nao_orbitals.F:21:41: 21 | + BASBEG,BASEND, | 1 Warning: Unused dummy argument ‘basend’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__gener_sqroot_overlap.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__handle_matrix_sections.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__initialize_run.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__normalize_overlap_density.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__normalize_overlap_density.F:151:72: 151 | DO 20 K = 1,N | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 20 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__open_files.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__optimum_atom_index_order.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__partial_schmidt.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__perturb_occupation_matrix.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__print_molecule_info.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__print_nao_results.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__print_nbo_results.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__print_nbo_results.F:22:55: 22 | + NCB,NLB,NBB,NEB,NAB,NYB,NRB, | 1 Warning: Unused dummy argument ‘nrb’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__print_nho_results.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__print_nho_search_info.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__print_nlmo_results.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__print_symmetry_info.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__refine_occupation_matrix.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__refine_occupation_matrix.F:19:34: 19 | + MAXOCC, | 1 Warning: Unused dummy argument ‘maxocc’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__rotate_atom_nbo.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__rotate_atom_ogroup_nbo.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__rotate_atom_ogroup_nbo.F:1013:5: 1013 | 23456 IF (.NOT.ROT3DEG) THEN | 1 Warning: Label 23456 at (1) defined but not used [-Wunused-label] nlo__rotate_atom_ogroup_nbo.F:589:5: 589 | 12345 IF (.NOT.ROT2DEG) THEN | 1 Warning: Label 12345 at (1) defined but not used [-Wunused-label] nlo__rotate_atom_ogroup_nbo.F:963:5: 963 | 2345 IF (.NOT.ROT3DEG .AND. (NCUBE.NE.0)) THEN | 1 Warning: Label 2345 at (1) defined but not used [-Wunused-label] nlo__rotate_atom_ogroup_nbo.F:542:5: 542 | 1234 IF (.NOT.ROT2DEG .AND. (NCUBE.NE.0)) THEN | 1 Warning: Label 1234 at (1) defined but not used [-Wunused-label] nlo__rotate_atom_ogroup_nbo.F:29:34: 29 | + IDXDEG, | 1 Warning: Unused dummy argument ‘idxdeg’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__rotate_atom_tgroup_nbo.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__rotate_atom_tgroup_nbo.F:29:34: 29 | + IDXDEG, | 1 Warning: Unused dummy argument ‘idxdeg’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__rotate_axial_nbo.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__rotate_ogroup_nbo.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__rotate_ogroup_nbo.F:460:72: 460 | P3 = LEFT (1) | ^ Warning: ‘left’ may be used uninitialized [-Wmaybe-uninitialized] nlo__rotate_ogroup_nbo.F:350:37: 350 | INTEGER LEFT (1:4 ) | ^ note: ‘left’ declared here nlo__rotate_ogroup_nbo.F:1126:37: 1126 | IF (INDEX.NE.P2 .AND. ATOM3.NE.ATOM4) THEN | ^ Warning: ‘atom4’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__rotate_pair_degenerate_nbo.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__rotate_tgroup_nbo.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__sort_flp_vector_elements.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__sort_int_vector_elements.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__symmetric_jacobi.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__symmetric_jacobi.F:225:44: 225 | PARAMETER (MXBLCK = MAX ((L1CACHE/MXNROT-3*MXNROT),100)) | 1 Warning: Integer division truncated to constant ‘204’ at (1) [-Winteger-division] nlo__symmetric_jacobi.F:1168:72: 1168 | LMAX = MAX0 (K,LMAX) | ^ Warning: ‘lmax’ may be used uninitialized in this function [-Wmaybe-uninitialized] nlo__symmetric_jacobi.F:607:51: 607 | IF (DABS (X(L,KMAX)).EQ.XKLMAX .AND. .NOT.SKIPL) THEN | ^ Warning: ‘kmax’ may be used uninitialized in this function [-Wmaybe-uninitialized] nlo__symmetric_jacobi.F:168:30: 168 | INTEGER KBEG,KEND,LBEG | ^ Warning: ‘kend’ may be used uninitialized in this function [-Wmaybe-uninitialized] nlo__symmetric_jacobi.F:168:25: 168 | INTEGER KBEG,KEND,LBEG | ^ Warning: ‘kbeg’ may be used uninitialized in this function [-Wmaybe-uninitialized] nlo__symmetric_jacobi.F:364:72: 364 | XIJ = X (JMAX,IMAX) | ^ Warning: ‘jmax’ may be used uninitialized in this function [-Wmaybe-uninitialized] nlo__symmetric_jacobi.F:363:72: 363 | XII = X (IMAX,IMAX) | ^ Warning: ‘imax’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__symmetrize_atomic_nbo.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__symmetrize_atomic_nbo.F:28:51: 28 | + DSYMACC,LSYMACC,PSYMACC,QSYMACC, | 1 Warning: Unused dummy argument ‘psymacc’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__symmetrize_nbo_orbitals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__symmetrize_nbo_orbitals.F:17:44: 17 | + ( NBAS,NATOM,NBOND, | 1 Warning: Unused dummy argument ‘nbond’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__symmetry_related_centers.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include nlo__wsw_orthonormalize.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] nlo__wsw_orthonormalize.F:153:72: 153 | DO 10 I = J,M | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ofh__backspace_unit.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] output_files.h:19:37: 19 | logical logfile_exists | 1 Warning: Unused variable ‘logfile_exists’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ofh__close_all_units.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] output_files.h:19:37: 19 | logical logfile_exists | 1 Warning: Unused variable ‘logfile_exists’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ofh__close_and_delete_unit.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] output_files.h:19:37: 19 | logical logfile_exists | 1 Warning: Unused variable ‘logfile_exists’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ofh__close_logfile.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ofh__close_unit.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] output_files.h:19:37: 19 | logical logfile_exists | 1 Warning: Unused variable ‘logfile_exists’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ofh__finish.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] ofh__finish.F:40:13: 40 | if (logfile_exists) then | ^ Warning: ‘logfile_exists’ is used uninitialized [-Wuninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ofh__get_file_unit.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ofh__get_free_unit.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] output_files.h:19:37: 19 | logical logfile_exists | 1 Warning: Unused variable ‘logfile_exists’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ofh__open_file.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] output_files.h:19:37: 19 | logical logfile_exists | 1 Warning: Unused variable ‘logfile_exists’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ofh__open_logfile.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ofh__rewind_unit.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] output_files.h:19:37: 19 | logical logfile_exists | 1 Warning: Unused variable ‘logfile_exists’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ofh__skip_file_comments.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] output_files.h:19:37: 19 | logical logfile_exists | 1 Warning: Unused variable ‘logfile_exists’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ofh__start.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include ofh__stop.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] output_files.h:19:37: 19 | logical logfile_exists | 1 Warning: Unused variable ‘logfile_exists’ declared at (1) [-Wunused-variable] ar rv libnlo.a dacosd.o mat__balance_symmetric_matrix.o mat__blockdiag_real_symmetric.o mat__c_eq_a_float.o mat__c_eq_a_times_b_float.o mat__c_eq_a_times_bt_float.o mat__c_eq_at_times_b_float.o mat__c_eq_c_times_a_float.o mat__c_eq_c_transposed_float.o mat__c_eq_orthotran_diag.o mat__c_eq_orthotran_offdiag.o mat__c_eq_unit_float.o mat__c_eq_zero_float.o mat__c_eq_zero_integer.o mat__ct_eq_at_times_b_float.o mat__dgemm_c_eq_atxb_float.o mat__dgemm_c_eq_axb_float.o mat__dgemm_c_eq_axbt_float.o mat__dgemm_ct_eq_atxb_float.o mat__diagonalize_real_symmetric.o mat__gen_eigsys_real_symmetric.o mat__orthotran_minimax_1_norm.o mat__print_a_float_12_nozeros.o mat__print_a_float_18_nozeros.o mat__print_a_float_3_nozeros.o mat__print_a_float_5_nozeros.o mat__print_a_integer_nozeros.o mat__print_v_float_12_nozeros.o mat__print_v_float_5_nozeros.o mat__print_v_integer_nozeros.o mat__reorder_matrix_columns.o mat__reorder_vector_float.o mat__reorder_vector_integer.o mat__w_eq_u_float.o mat__w_eq_zero_float.o mat__w_eq_zero_integer.o nlo__accept_atoms_bond_search.o nlo__analyze_bond_order_matrix.o nlo__analyze_nao_orbitals.o nlo__analyze_rings.o nlo__angular_momentum_nbo.o nlo__calc_interaction_order.o nlo__characterize_nho_space.o nlo__check_coplanarity.o nlo__check_linear_dependency.o nlo__check_nho_all_x_centers.o nlo__check_nho_x_centers.o nlo__close_files.o nlo__compare_vector_pairs.o nlo__complete_nho_space.o nlo__denormalize_coeff_matrix.o nlo__determine_orbital_locality.o nlo__extract_atomic_content.o nlo__find_2deg_axial_rotmat.o nlo__find_axial_rotation_matrix.o nlo__find_rotation_nbo_indices.o nlo__form_atomic_nonvalence_nbo.o nlo__form_atomic_nonvalence_nho.o nlo__form_l_sitesym_coeffs.o nlo__form_m_averaged_matrix.o nlo__form_m_expanded_coeffs.o nlo__form_m_expanded_matrix.o nlo__form_m_expanded_weights.o nlo__form_nbo_x_centers.o nlo__form_nho_hybrid_pattern.o nlo__form_sd2_nbo.o nlo__form_sp2_nbo.o nlo__form_sp2_pair_nbo.o nlo__gener_nao_orbitals.o nlo__gener_nbo_orbitals.o nlo__gener_nho_orbitals.o nlo__gener_nlmo_orbitals.o nlo__gener_nlo_orbitals.o nlo__gener_pre_nao_orbitals.o nlo__gener_sqroot_overlap.o nlo__handle_matrix_sections.o nlo__initialize_run.o nlo__normalize_overlap_density.o nlo__open_files.o nlo__optimum_atom_index_order.o nlo__partial_schmidt.o nlo__perturb_occupation_matrix.o nlo__print_molecule_info.o nlo__print_nao_results.o nlo__print_nbo_results.o nlo__print_nho_results.o nlo__print_nho_search_info.o nlo__print_nlmo_results.o nlo__print_symmetry_info.o nlo__refine_occupation_matrix.o nlo__rotate_atom_nbo.o nlo__rotate_atom_ogroup_nbo.o nlo__rotate_atom_tgroup_nbo.o nlo__rotate_axial_nbo.o nlo__rotate_ogroup_nbo.o nlo__rotate_pair_degenerate_nbo.o nlo__rotate_tgroup_nbo.o nlo__sort_flp_vector_elements.o nlo__sort_int_vector_elements.o nlo__symmetric_jacobi.o nlo__symmetrize_atomic_nbo.o nlo__symmetrize_nbo_orbitals.o nlo__symmetry_related_centers.o nlo__wsw_orthonormalize.o ofh__backspace_unit.o ofh__close_all_units.o ofh__close_and_delete_unit.o ofh__close_logfile.o ofh__close_unit.o ofh__finish.o ofh__get_file_unit.o ofh__get_free_unit.o ofh__open_file.o ofh__open_logfile.o ofh__rewind_unit.o ofh__skip_file_comments.o ofh__start.o ofh__stop.o ar: creating libnlo.a a - dacosd.o a - mat__balance_symmetric_matrix.o a - mat__blockdiag_real_symmetric.o a - mat__c_eq_a_float.o a - mat__c_eq_a_times_b_float.o a - mat__c_eq_a_times_bt_float.o a - mat__c_eq_at_times_b_float.o a - mat__c_eq_c_times_a_float.o a - mat__c_eq_c_transposed_float.o a - mat__c_eq_orthotran_diag.o a - mat__c_eq_orthotran_offdiag.o a - mat__c_eq_unit_float.o a - mat__c_eq_zero_float.o a - mat__c_eq_zero_integer.o a - mat__ct_eq_at_times_b_float.o a - mat__dgemm_c_eq_atxb_float.o a - mat__dgemm_c_eq_axb_float.o a - mat__dgemm_c_eq_axbt_float.o a - mat__dgemm_ct_eq_atxb_float.o a - mat__diagonalize_real_symmetric.o a - mat__gen_eigsys_real_symmetric.o a - mat__orthotran_minimax_1_norm.o a - mat__print_a_float_12_nozeros.o a - mat__print_a_float_18_nozeros.o a - mat__print_a_float_3_nozeros.o a - mat__print_a_float_5_nozeros.o a - mat__print_a_integer_nozeros.o a - mat__print_v_float_12_nozeros.o a - mat__print_v_float_5_nozeros.o a - mat__print_v_integer_nozeros.o a - mat__reorder_matrix_columns.o a - mat__reorder_vector_float.o a - mat__reorder_vector_integer.o a - mat__w_eq_u_float.o a - mat__w_eq_zero_float.o a - mat__w_eq_zero_integer.o a - nlo__accept_atoms_bond_search.o a - nlo__analyze_bond_order_matrix.o a - nlo__analyze_nao_orbitals.o a - nlo__analyze_rings.o a - nlo__angular_momentum_nbo.o a - nlo__calc_interaction_order.o a - nlo__characterize_nho_space.o a - nlo__check_coplanarity.o a - nlo__check_linear_dependency.o a - nlo__check_nho_all_x_centers.o a - nlo__check_nho_x_centers.o a - nlo__close_files.o a - nlo__compare_vector_pairs.o a - nlo__complete_nho_space.o a - nlo__denormalize_coeff_matrix.o a - nlo__determine_orbital_locality.o a - nlo__extract_atomic_content.o a - nlo__find_2deg_axial_rotmat.o a - nlo__find_axial_rotation_matrix.o a - nlo__find_rotation_nbo_indices.o a - nlo__form_atomic_nonvalence_nbo.o a - nlo__form_atomic_nonvalence_nho.o a - nlo__form_l_sitesym_coeffs.o a - nlo__form_m_averaged_matrix.o a - nlo__form_m_expanded_coeffs.o a - nlo__form_m_expanded_matrix.o a - nlo__form_m_expanded_weights.o a - nlo__form_nbo_x_centers.o a - nlo__form_nho_hybrid_pattern.o a - nlo__form_sd2_nbo.o a - nlo__form_sp2_nbo.o a - nlo__form_sp2_pair_nbo.o a - nlo__gener_nao_orbitals.o a - nlo__gener_nbo_orbitals.o a - nlo__gener_nho_orbitals.o a - nlo__gener_nlmo_orbitals.o a - nlo__gener_nlo_orbitals.o a - nlo__gener_pre_nao_orbitals.o a - nlo__gener_sqroot_overlap.o a - nlo__handle_matrix_sections.o a - nlo__initialize_run.o a - nlo__normalize_overlap_density.o a - nlo__open_files.o a - nlo__optimum_atom_index_order.o a - nlo__partial_schmidt.o a - nlo__perturb_occupation_matrix.o a - nlo__print_molecule_info.o a - nlo__print_nao_results.o a - nlo__print_nbo_results.o a - nlo__print_nho_results.o a - nlo__print_nho_search_info.o a - nlo__print_nlmo_results.o a - nlo__print_symmetry_info.o a - nlo__refine_occupation_matrix.o a - nlo__rotate_atom_nbo.o a - nlo__rotate_atom_ogroup_nbo.o a - nlo__rotate_atom_tgroup_nbo.o a - nlo__rotate_axial_nbo.o a - nlo__rotate_ogroup_nbo.o a - nlo__rotate_pair_degenerate_nbo.o a - nlo__rotate_tgroup_nbo.o a - nlo__sort_flp_vector_elements.o a - nlo__sort_int_vector_elements.o a - nlo__symmetric_jacobi.o a - nlo__symmetrize_atomic_nbo.o a - nlo__symmetrize_nbo_orbitals.o a - nlo__symmetry_related_centers.o a - nlo__wsw_orthonormalize.o a - ofh__backspace_unit.o a - ofh__close_all_units.o a - ofh__close_and_delete_unit.o a - ofh__close_logfile.o a - ofh__close_unit.o a - ofh__finish.o a - ofh__get_file_unit.o a - ofh__get_free_unit.o a - ofh__open_file.o a - ofh__open_logfile.o a - ofh__rewind_unit.o a - ofh__skip_file_comments.o a - ofh__start.o a - ofh__stop.o cp libnlo.a ../../../../../lib/libnlo.a rm -f make.out make.err make[6]: Leaving directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/nlo' make[6]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/oed' rm -f make.out make.err mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__cartesian_norms.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ctr_2index_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ctr_2index_reorder.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ctr_3index_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ctr_3index_reorder.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ctr_pair_new.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ctr_pair_update.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ctr_rs_expand.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ctr_single_new.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ctr_single_update.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__dsqmin_line_segments.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__gener_kin_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__gener_kin_derv_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__gener_nai_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ftable.inc:49:53: 49 | DOUBLE PRECISION FTABLE (0:MGRID,0:NGRID) | 1 Warning: Array ‘ftable’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__gener_nai_derv_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ftable.inc:49:53: 49 | DOUBLE PRECISION FTABLE (0:MGRID,0:NGRID) | 1 Warning: Array ‘ftable’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__gener_ovl3c_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__gener_ovl_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__gener_ovl_derv_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__gener_xyz_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__gener_xyz_derv_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__hrr_matrix.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__hrr_step.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__hrr_step.F:297:72: 297 | DO 204 YA = SHELLA-XA,0,-1 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 204 at (1) oed__hrr_step.F:18:39: 18 | + NXYZX,NXYZP,NXYZA,NXYZB,NXYZAO, | 1 Warning: Unused dummy argument ‘nxyzp’ at (1) [-Wunused-dummy-argument] oed__hrr_step.F:180:22: 180 | INTEGER X,Y,Z,XO,YO,ZO | ^ Warning: ‘x’ may be used uninitialized in this function [-Wmaybe-uninitialized] oed__hrr_step.F:330:72: 330 | X = Y + 1 | ^ Warning: ‘y’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__hrr_transform.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_1d_derv_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_1d_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_ab_def_blocks.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__kin_ab_def_blocks.F:333:22: 333 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_ab_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__kin_ab_pcgto_block.F:23:30: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘xa’ at (1) [-Wunused-dummy-argument] oed__kin_ab_pcgto_block.F:23:39: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘xb’ at (1) [-Wunused-dummy-argument] oed__kin_ab_pcgto_block.F:23:33: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘ya’ at (1) [-Wunused-dummy-argument] oed__kin_ab_pcgto_block.F:23:42: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘yb’ at (1) [-Wunused-dummy-argument] oed__kin_ab_pcgto_block.F:23:36: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘za’ at (1) [-Wunused-dummy-argument] oed__kin_ab_pcgto_block.F:23:45: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘zb’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__kin_csgto.F:820:72: 820 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_derv_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__kin_derv_csgto.F:863:72: 863 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_derv_def_blocks.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__kin_derv_def_blocks.F:414:22: 414 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_derv_int1d_to_00.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_derv_int1d_to_a0.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_derv_int1d_to_ab.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__kin_derv_int1d_to_ab.F:94:24: 94 | INTEGER I,J,N | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_derv_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__kin_derv_pcgto_block.F:24:30: 24 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘xa’ at (1) [-Wunused-dummy-argument] oed__kin_derv_pcgto_block.F:24:39: 24 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘xb’ at (1) [-Wunused-dummy-argument] oed__kin_derv_pcgto_block.F:24:33: 24 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘ya’ at (1) [-Wunused-dummy-argument] oed__kin_derv_pcgto_block.F:24:42: 24 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘yb’ at (1) [-Wunused-dummy-argument] oed__kin_derv_pcgto_block.F:24:36: 24 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘za’ at (1) [-Wunused-dummy-argument] oed__kin_derv_pcgto_block.F:24:45: 24 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘zb’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_int1d_to_a0.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_int1d_to_ab.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__kin_int1d_to_ab.F:89:24: 89 | INTEGER I,J,N | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_prepare_ctr.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_set_ab.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_set_derv_ab.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__kin_set_derv_ab.F:22:31: 22 | + CC1,CC2, | 1 Warning: Unused dummy argument ‘cc1’ at (1) [-Wunused-dummy-argument] oed__kin_set_derv_ab.F:22:35: 22 | + CC1,CC2, | 1 Warning: Unused dummy argument ‘cc2’ at (1) [-Wunused-dummy-argument] oed__kin_set_derv_ab.F:21:32: 21 | + EXP1,EXP2, | 1 Warning: Unused dummy argument ‘exp1’ at (1) [-Wunused-dummy-argument] oed__kin_set_derv_ab.F:21:37: 21 | + EXP1,EXP2, | 1 Warning: Unused dummy argument ‘exp2’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_set_derv_sequence.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__kin_set_ij_pairs.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__map_ijkl_to_ikjl.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__map_ijkl_to_ikjl.F:78:72: 78 | DO 130 K = KK,KEND | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 130 at (1) oed__map_ijkl_to_ikjl.F:79:72: 79 | DO 130 I = 1,NI | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 130 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__memory_kin_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__memory_kin_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__memory_kin_derv_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__memory_kin_derv_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__memory_nai_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__memory_nai_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__memory_nai_derv_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__memory_nai_derv_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__memory_ovl3c_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__memory_ovl3c_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__memory_ovl_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__memory_ovl_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__memory_ovl_derv_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__memory_ovl_derv_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__move_ry.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_1d_ab_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_1d_cenderv_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_1d_cenderv_integrals.F:113:24: 113 | INTEGER AM,AP,BM,BP | 1 Warning: Unused variable ‘ap’ declared at (1) [-Wunused-variable] oed__nai_1d_cenderv_integrals.F:113:30: 113 | INTEGER AM,AP,BM,BP | 1 Warning: Unused variable ‘bp’ declared at (1) [-Wunused-variable] oed__nai_1d_cenderv_integrals.F:112:24: 112 | INTEGER A,B,K,M,N | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] oed__nai_1d_cenderv_integrals.F:112:28: 112 | INTEGER A,B,K,M,N | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_1d_coefficients.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_1d_p_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_1d_shderv_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_csgto.F:961:72: 961 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_2cen_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_derv_2cen_pcgto_block.F:221:26: 221 | INTEGER I,J,L,M,N | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_3cen_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_derv_3cen_pcgto_block.F:242:27: 242 | INTEGER CENTER | 1 Warning: Unused variable ‘center’ declared at (1) [-Wunused-variable] oed__nai_derv_3cen_pcgto_block.F:26:39: 26 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘xb’ at (1) [-Wunused-dummy-argument] oed__nai_derv_3cen_pcgto_block.F:26:42: 26 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘yb’ at (1) [-Wunused-dummy-argument] oed__nai_derv_3cen_pcgto_block.F:26:45: 26 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘zb’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_derv_csgto.F:1193:72: 1193 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_def_blocks.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_derv_def_blocks.F:480:22: 480 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_int1d_to_00.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_int1d_to_a0.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_int1d_to_ab.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_derv_int1d_to_ab.F:85:24: 85 | INTEGER I,J,K,M,N | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_e0_def_blocks.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_e0_def_blocks.F:346:22: 346 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_e0_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_e0_pcgto_block.F:25:39: 25 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘xb’ at (1) [-Wunused-dummy-argument] oed__nai_e0_pcgto_block.F:25:42: 25 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘yb’ at (1) [-Wunused-dummy-argument] oed__nai_e0_pcgto_block.F:25:45: 25 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘zb’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_int1d_to_e0.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_prepare_ctr.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_set_ab.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_set_derv_ab.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_set_derv_ijc_triples.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_set_derv_ijc_triples.F:568:72: 568 | SSINT = PREFACT * (AB**ZP75) * PINV * F0 * ZFORIJ | ^ Warning: ‘zforij’ may be used uninitialized in this function [-Wmaybe-uninitialized] oed__nai_set_derv_ijc_triples.F:549:72: 549 | T = P * RMINSQ | ^ Warning: ‘rminsq’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_set_ijc_triples.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_set_ijc_triples.F:459:72: 459 | SSINT = PREFACT * (AB**ZP75) * PINV * F0 * ZFORIJ | ^ Warning: ‘zforij’ may be used uninitialized in this function [-Wmaybe-uninitialized] oed__nai_set_ijc_triples.F:440:72: 440 | T = P * RMINSQ | ^ Warning: ‘rminsq’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__normalize_cartesian.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl3c_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ovl3c_csgto.F:1078:72: 1078 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl3c_f00_def_blocks.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ovl3c_f00_def_blocks.F:331:22: 331 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] oed__ovl3c_f00_def_blocks.F:21:31: 21 | + NRS,NT,NRST, | 1 Warning: Unused dummy argument ‘nrs’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl3c_f00_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ovl3c_f00_pcgto_block.F:19:31: 19 | + MIJ,MK,MIJK, | 1 Warning: Unused dummy argument ‘mij’ at (1) [-Wunused-dummy-argument] oed__ovl3c_f00_pcgto_block.F:19:34: 19 | + MIJ,MK,MIJK, | 1 Warning: Unused dummy argument ‘mk’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl3c_prepare_ctr.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl3c_set_abc.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl3c_set_ijk.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl3c_set_ijk_triples.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ovl3c_set_ijk_triples.F:388:72: 388 | SSS = PREFACT*(P**ZP75)*(Q**NEG1P5)*RHOIJK | ^ Warning: ‘rhoijk’ may be used uninitialized [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_1d_ab_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_1d_derv_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_1d_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ovl_csgto.F:892:72: 892 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_derv_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ovl_derv_csgto.F:853:72: 853 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_derv_def_blocks.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ovl_derv_def_blocks.F:391:22: 391 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_derv_int1d_to_00.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_derv_int1d_to_a0.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_derv_int1d_to_ab.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ovl_derv_int1d_to_ab.F:78:24: 78 | INTEGER I,J,N | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_derv_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ovl_derv_pcgto_block.F:23:30: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘xa’ at (1) [-Wunused-dummy-argument] oed__ovl_derv_pcgto_block.F:23:39: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘xb’ at (1) [-Wunused-dummy-argument] oed__ovl_derv_pcgto_block.F:23:33: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘ya’ at (1) [-Wunused-dummy-argument] oed__ovl_derv_pcgto_block.F:23:42: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘yb’ at (1) [-Wunused-dummy-argument] oed__ovl_derv_pcgto_block.F:23:36: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘za’ at (1) [-Wunused-dummy-argument] oed__ovl_derv_pcgto_block.F:23:45: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘zb’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_e0_def_blocks.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ovl_e0_def_blocks.F:316:22: 316 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_e0_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ovl_e0_pcgto_block.F:23:30: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘xa’ at (1) [-Wunused-dummy-argument] oed__ovl_e0_pcgto_block.F:23:39: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘xb’ at (1) [-Wunused-dummy-argument] oed__ovl_e0_pcgto_block.F:23:33: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘ya’ at (1) [-Wunused-dummy-argument] oed__ovl_e0_pcgto_block.F:23:42: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘yb’ at (1) [-Wunused-dummy-argument] oed__ovl_e0_pcgto_block.F:23:36: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘za’ at (1) [-Wunused-dummy-argument] oed__ovl_e0_pcgto_block.F:23:45: 23 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘zb’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_int1d_to_e0.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_prepare_ctr.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_set_ab.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_set_derv_ab.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ovl_set_derv_ab.F:22:31: 22 | + CC1,CC2, | 1 Warning: Unused dummy argument ‘cc1’ at (1) [-Wunused-dummy-argument] oed__ovl_set_derv_ab.F:22:35: 22 | + CC1,CC2, | 1 Warning: Unused dummy argument ‘cc2’ at (1) [-Wunused-dummy-argument] oed__ovl_set_derv_ab.F:21:32: 21 | + EXP1,EXP2, | 1 Warning: Unused dummy argument ‘exp1’ at (1) [-Wunused-dummy-argument] oed__ovl_set_derv_ab.F:21:37: 21 | + EXP1,EXP2, | 1 Warning: Unused dummy argument ‘exp2’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_set_derv_sequence.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__ovl_set_ij_pairs.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__print_2ind_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__print_2ind_batch.F:60:72: 60 | DO 10 I = 1,N2 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) oed__print_2ind_batch.F:61:72: 61 | DO 10 J = 1, N3 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) oed__print_2ind_batch.F:47:26: 47 | INTEGER I,J,K,L | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] oed__print_2ind_batch.F:47:28: 47 | INTEGER I,J,K,L | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__print_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__print_batch.F:58:72: 58 | DO 10 K = 1,N3 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) oed__print_batch.F:59:72: 59 | DO 10 J = 1,N2 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) oed__print_batch.F:60:72: 60 | DO 10 I = 1,N1 | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 10 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__rys_1_roots_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__rys_2_roots_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__rys_3_roots_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__rys_4_roots_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__rys_5_roots_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__rys_roots_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__rys_x_roots_weights.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__spherical_transform.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__transpose_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__transpose_batch.F:77:72: 77 | DO 120 I = II,IEND | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 120 at (1) mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_1d_ab_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_1d_derv_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_1d_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_1d_integrals.F:101:30: 101 | DOUBLE PRECISION ABM,ABX,ABY,ABZ | 1 Warning: Unused variable ‘abm’ declared at (1) [-Wunused-variable] oed__xyz_1d_integrals.F:94:22: 94 | INTEGER I1,I2,J1 | 1 Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] oed__xyz_1d_integrals.F:94:25: 94 | INTEGER I1,I2,J1 | 1 Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable] oed__xyz_1d_integrals.F:95:24: 95 | INTEGER IEND,JEND | 1 Warning: Unused variable ‘iend’ declared at (1) [-Wunused-variable] oed__xyz_1d_integrals.F:93:23: 93 | INTEGER I,J,N | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] oed__xyz_1d_integrals.F:94:28: 94 | INTEGER I1,I2,J1 | 1 Warning: Unused variable ‘j1’ declared at (1) [-Wunused-variable] oed__xyz_1d_integrals.F:95:29: 95 | INTEGER IEND,JEND | 1 Warning: Unused variable ‘jend’ declared at (1) [-Wunused-variable] oed__xyz_1d_integrals.F:20:39: 20 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘xb’ at (1) [-Wunused-dummy-argument] oed__xyz_1d_integrals.F:20:42: 20 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘yb’ at (1) [-Wunused-dummy-argument] oed__xyz_1d_integrals.F:20:45: 20 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘zb’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_1d_mom_ab_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_1d_mom_ab_integrals.F:24:30: 24 | + PB, ! Watson Added | 1 Warning: Unused dummy argument ‘pb’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_1d_ovl_mom_ab_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_csgto.F:910:72: 910 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_derv_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_derv_csgto.F:878:72: 878 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_derv_def_blocks.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_derv_def_blocks.F:468:22: 468 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_derv_int1d_to_00.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_derv_int1d_to_a0.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_derv_int1d_to_ab.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_derv_int1d_to_ab.F:24:33: 24 | + CASEX,CASEY,CASEZ, ! Watson Added | 1 Warning: Unused dummy argument ‘casex’ at (1) [-Wunused-dummy-argument] oed__xyz_derv_int1d_to_ab.F:24:39: 24 | + CASEX,CASEY,CASEZ, ! Watson Added | 1 Warning: Unused dummy argument ‘casey’ at (1) [-Wunused-dummy-argument] oed__xyz_derv_int1d_to_ab.F:24:45: 24 | + CASEX,CASEY,CASEZ, ! Watson Added | 1 Warning: Unused dummy argument ‘casez’ at (1) [-Wunused-dummy-argument] oed__xyz_derv_int1d_to_ab.F:23:33: 23 | + DIFFX,DIFFY,DIFFZ, | 1 Warning: Unused dummy argument ‘diffx’ at (1) [-Wunused-dummy-argument] oed__xyz_derv_int1d_to_ab.F:23:39: 23 | + DIFFX,DIFFY,DIFFZ, | 1 Warning: Unused dummy argument ‘diffy’ at (1) [-Wunused-dummy-argument] oed__xyz_derv_int1d_to_ab.F:23:45: 23 | + DIFFX,DIFFY,DIFFZ, | 1 Warning: Unused dummy argument ‘diffz’ at (1) [-Wunused-dummy-argument] oed__xyz_derv_int1d_to_ab.F:84:24: 84 | INTEGER I,J,N | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_derv_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_e0_def_blocks.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_e0_def_blocks.F:366:22: 366 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] oed__xyz_e0_def_blocks.F:394:72: 394 | ZONE4 = MAX (ZONE4B,ZONE4C) | ^ Warning: ‘zone4b’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_e0_pcgto_block.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_e0_pcgto_block.F:150:34: 150 | INTEGER SHELLA,SHELLB,SHELLP | 1 Warning: Unused variable ‘shellb’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_init_00_ints.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_init_00_ints.F:74:28: 74 | INTEGER MOM,N,I,J | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] oed__xyz_init_00_ints.F:74:30: 74 | INTEGER MOM,N,I,J | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_init_ovrlp.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_init_ovrlp.F:21:30: 21 | + DP, | 1 Warning: Unused dummy argument ‘dp’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_int1d_to_e0.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_int1d_to_e0.F:18:34: 18 | + ATOMIC, | 1 Warning: Unused dummy argument ‘atomic’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_mom_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_mom_integrals.F:23:33: 23 | + AB,DA,DP, | 1 Warning: Unused dummy argument ‘da’ at (1) [-Wunused-dummy-argument] oed__xyz_mom_integrals.F:23:36: 23 | + AB,DA,DP, | 1 Warning: Unused dummy argument ‘dp’ at (1) [-Wunused-dummy-argument] oed__xyz_mom_integrals.F:108:29: 108 | INTEGER IEND,JEND | 1 Warning: Unused variable ‘jend’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_set_ab.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_set_ab.F:161:26: 161 | LOGICAL CASE1,CASE2 | 1 Warning: Unused variable ‘case1’ declared at (1) [-Wunused-variable] oed__xyz_set_ab.F:161:32: 161 | LOGICAL CASE1,CASE2 | 1 Warning: Unused variable ‘case2’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_set_derv_ab.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_set_derv_ab.F:24:31: 24 | + CC1,CC2, | 1 Warning: Unused dummy argument ‘cc1’ at (1) [-Wunused-dummy-argument] oed__xyz_set_derv_ab.F:24:35: 24 | + CC1,CC2, | 1 Warning: Unused dummy argument ‘cc2’ at (1) [-Wunused-dummy-argument] oed__xyz_set_derv_ab.F:23:32: 23 | + EXP1,EXP2, | 1 Warning: Unused dummy argument ‘exp1’ at (1) [-Wunused-dummy-argument] oed__xyz_set_derv_ab.F:23:37: 23 | + EXP1,EXP2, | 1 Warning: Unused dummy argument ‘exp2’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_set_derv_sequence.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_to_ry_ab.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_to_ry_abc.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__xyz_to_ry_matrix.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__xyz_to_ry_matrix.F:403:72: 403 | D = D / (XK - XT) | ^ Warning: ‘xk’ may be used uninitialized in this function [-Wmaybe-uninitialized] oed__xyz_to_ry_matrix.F:373:72: 373 | A = A / X | ^ Warning: ‘a’ may be used uninitialized in this function [-Wmaybe-uninitialized] ar rv liboedlib.a oed__cartesian_norms.o oed__ctr_2index_block.o oed__ctr_2index_reorder.o oed__ctr_3index_block.o oed__ctr_3index_reorder.o oed__ctr_pair_new.o oed__ctr_pair_update.o oed__ctr_rs_expand.o oed__ctr_single_new.o oed__ctr_single_update.o oed__dsqmin_line_segments.o oed__gener_kin_batch.o oed__gener_kin_derv_batch.o oed__gener_nai_batch.o oed__gener_nai_derv_batch.o oed__gener_ovl3c_batch.o oed__gener_ovl_batch.o oed__gener_ovl_derv_batch.o oed__gener_xyz_batch.o oed__gener_xyz_derv_batch.o oed__hrr_matrix.o oed__hrr_step.o oed__hrr_transform.o oed__kin_1d_derv_integrals.o oed__kin_1d_integrals.o oed__kin_ab_def_blocks.o oed__kin_ab_pcgto_block.o oed__kin_csgto.o oed__kin_derv_csgto.o oed__kin_derv_def_blocks.o oed__kin_derv_int1d_to_00.o oed__kin_derv_int1d_to_a0.o oed__kin_derv_int1d_to_ab.o oed__kin_derv_pcgto_block.o oed__kin_int1d_to_a0.o oed__kin_int1d_to_ab.o oed__kin_prepare_ctr.o oed__kin_set_ab.o oed__kin_set_derv_ab.o oed__kin_set_derv_sequence.o oed__kin_set_ij_pairs.o oed__map_ijkl_to_ikjl.o oed__memory_kin_batch.o oed__memory_kin_csgto.o oed__memory_kin_derv_batch.o oed__memory_kin_derv_csgto.o oed__memory_nai_batch.o oed__memory_nai_csgto.o oed__memory_nai_derv_batch.o oed__memory_nai_derv_csgto.o oed__memory_ovl3c_batch.o oed__memory_ovl3c_csgto.o oed__memory_ovl_batch.o oed__memory_ovl_csgto.o oed__memory_ovl_derv_batch.o oed__memory_ovl_derv_csgto.o oed__move_ry.o oed__nai_1d_ab_integrals.o oed__nai_1d_cenderv_integrals.o oed__nai_1d_coefficients.o oed__nai_1d_p_integrals.o oed__nai_1d_shderv_integrals.o oed__nai_csgto.o oed__nai_derv_2cen_pcgto_block.o oed__nai_derv_3cen_pcgto_block.o oed__nai_derv_csgto.o oed__nai_derv_def_blocks.o oed__nai_derv_int1d_to_00.o oed__nai_derv_int1d_to_a0.o oed__nai_derv_int1d_to_ab.o oed__nai_e0_def_blocks.o oed__nai_e0_pcgto_block.o oed__nai_int1d_to_e0.o oed__nai_prepare_ctr.o oed__nai_set_ab.o oed__nai_set_derv_ab.o oed__nai_set_derv_ijc_triples.o oed__nai_set_ijc_triples.o oed__normalize_cartesian.o oed__ovl3c_csgto.o oed__ovl3c_f00_def_blocks.o oed__ovl3c_f00_pcgto_block.o oed__ovl3c_prepare_ctr.o oed__ovl3c_set_abc.o oed__ovl3c_set_ijk.o oed__ovl3c_set_ijk_triples.o oed__ovl_1d_ab_integrals.o oed__ovl_1d_derv_integrals.o oed__ovl_1d_integrals.o oed__ovl_csgto.o oed__ovl_derv_csgto.o oed__ovl_derv_def_blocks.o oed__ovl_derv_int1d_to_00.o oed__ovl_derv_int1d_to_a0.o oed__ovl_derv_int1d_to_ab.o oed__ovl_derv_pcgto_block.o oed__ovl_e0_def_blocks.o oed__ovl_e0_pcgto_block.o oed__ovl_int1d_to_e0.o oed__ovl_prepare_ctr.o oed__ovl_set_ab.o oed__ovl_set_derv_ab.o oed__ovl_set_derv_sequence.o oed__ovl_set_ij_pairs.o oed__print_2ind_batch.o oed__print_batch.o oed__rys_1_roots_weights.o oed__rys_2_roots_weights.o oed__rys_3_roots_weights.o oed__rys_4_roots_weights.o oed__rys_5_roots_weights.o oed__rys_roots_weights.o oed__rys_x_roots_weights.o oed__spherical_transform.o oed__transpose_batch.o oed__xyz_1d_ab_integrals.o oed__xyz_1d_derv_integrals.o oed__xyz_1d_integrals.o oed__xyz_1d_mom_ab_integrals.o oed__xyz_1d_ovl_mom_ab_integrals.o oed__xyz_csgto.o oed__xyz_derv_csgto.o oed__xyz_derv_def_blocks.o oed__xyz_derv_int1d_to_00.o oed__xyz_derv_int1d_to_a0.o oed__xyz_derv_int1d_to_ab.o oed__xyz_derv_pcgto_block.o oed__xyz_e0_def_blocks.o oed__xyz_e0_pcgto_block.o oed__xyz_init_00_ints.o oed__xyz_init_ovrlp.o oed__xyz_int1d_to_e0.o oed__xyz_mom_integrals.o oed__xyz_set_ab.o oed__xyz_set_derv_ab.o oed__xyz_set_derv_sequence.o oed__xyz_to_ry_ab.o oed__xyz_to_ry_abc.o oed__xyz_to_ry_matrix.o ar: creating liboedlib.a a - oed__cartesian_norms.o a - oed__ctr_2index_block.o a - oed__ctr_2index_reorder.o a - oed__ctr_3index_block.o a - oed__ctr_3index_reorder.o a - oed__ctr_pair_new.o a - oed__ctr_pair_update.o a - oed__ctr_rs_expand.o a - oed__ctr_single_new.o a - oed__ctr_single_update.o a - oed__dsqmin_line_segments.o a - oed__gener_kin_batch.o a - oed__gener_kin_derv_batch.o a - oed__gener_nai_batch.o a - oed__gener_nai_derv_batch.o a - oed__gener_ovl3c_batch.o a - oed__gener_ovl_batch.o a - oed__gener_ovl_derv_batch.o a - oed__gener_xyz_batch.o a - oed__gener_xyz_derv_batch.o a - oed__hrr_matrix.o a - oed__hrr_step.o a - oed__hrr_transform.o a - oed__kin_1d_derv_integrals.o a - oed__kin_1d_integrals.o a - oed__kin_ab_def_blocks.o a - oed__kin_ab_pcgto_block.o a - oed__kin_csgto.o a - oed__kin_derv_csgto.o a - oed__kin_derv_def_blocks.o a - oed__kin_derv_int1d_to_00.o a - oed__kin_derv_int1d_to_a0.o a - oed__kin_derv_int1d_to_ab.o a - oed__kin_derv_pcgto_block.o a - oed__kin_int1d_to_a0.o a - oed__kin_int1d_to_ab.o a - oed__kin_prepare_ctr.o a - oed__kin_set_ab.o a - oed__kin_set_derv_ab.o a - oed__kin_set_derv_sequence.o a - oed__kin_set_ij_pairs.o a - oed__map_ijkl_to_ikjl.o a - oed__memory_kin_batch.o a - oed__memory_kin_csgto.o a - oed__memory_kin_derv_batch.o a - oed__memory_kin_derv_csgto.o a - oed__memory_nai_batch.o a - oed__memory_nai_csgto.o a - oed__memory_nai_derv_batch.o a - oed__memory_nai_derv_csgto.o a - oed__memory_ovl3c_batch.o a - oed__memory_ovl3c_csgto.o a - oed__memory_ovl_batch.o a - oed__memory_ovl_csgto.o a - oed__memory_ovl_derv_batch.o a - oed__memory_ovl_derv_csgto.o a - oed__move_ry.o a - oed__nai_1d_ab_integrals.o a - oed__nai_1d_cenderv_integrals.o a - oed__nai_1d_coefficients.o a - oed__nai_1d_p_integrals.o a - oed__nai_1d_shderv_integrals.o a - oed__nai_csgto.o a - oed__nai_derv_2cen_pcgto_block.o a - oed__nai_derv_3cen_pcgto_block.o a - oed__nai_derv_csgto.o a - oed__nai_derv_def_blocks.o a - oed__nai_derv_int1d_to_00.o a - oed__nai_derv_int1d_to_a0.o a - oed__nai_derv_int1d_to_ab.o a - oed__nai_e0_def_blocks.o a - oed__nai_e0_pcgto_block.o a - oed__nai_int1d_to_e0.o a - oed__nai_prepare_ctr.o a - oed__nai_set_ab.o a - oed__nai_set_derv_ab.o a - oed__nai_set_derv_ijc_triples.o a - oed__nai_set_ijc_triples.o a - oed__normalize_cartesian.o a - oed__ovl3c_csgto.o a - oed__ovl3c_f00_def_blocks.o a - oed__ovl3c_f00_pcgto_block.o a - oed__ovl3c_prepare_ctr.o a - oed__ovl3c_set_abc.o a - oed__ovl3c_set_ijk.o a - oed__ovl3c_set_ijk_triples.o a - oed__ovl_1d_ab_integrals.o a - oed__ovl_1d_derv_integrals.o a - oed__ovl_1d_integrals.o a - oed__ovl_csgto.o a - oed__ovl_derv_csgto.o a - oed__ovl_derv_def_blocks.o a - oed__ovl_derv_int1d_to_00.o a - oed__ovl_derv_int1d_to_a0.o a - oed__ovl_derv_int1d_to_ab.o a - oed__ovl_derv_pcgto_block.o a - oed__ovl_e0_def_blocks.o a - oed__ovl_e0_pcgto_block.o a - oed__ovl_int1d_to_e0.o a - oed__ovl_prepare_ctr.o a - oed__ovl_set_ab.o a - oed__ovl_set_derv_ab.o a - oed__ovl_set_derv_sequence.o a - oed__ovl_set_ij_pairs.o a - oed__print_2ind_batch.o a - oed__print_batch.o a - oed__rys_1_roots_weights.o a - oed__rys_2_roots_weights.o a - oed__rys_3_roots_weights.o a - oed__rys_4_roots_weights.o a - oed__rys_5_roots_weights.o a - oed__rys_roots_weights.o a - oed__rys_x_roots_weights.o a - oed__spherical_transform.o a - oed__transpose_batch.o a - oed__xyz_1d_ab_integrals.o a - oed__xyz_1d_derv_integrals.o a - oed__xyz_1d_integrals.o a - oed__xyz_1d_mom_ab_integrals.o a - oed__xyz_1d_ovl_mom_ab_integrals.o a - oed__xyz_csgto.o a - oed__xyz_derv_csgto.o a - oed__xyz_derv_def_blocks.o a - oed__xyz_derv_int1d_to_00.o a - oed__xyz_derv_int1d_to_a0.o a - oed__xyz_derv_int1d_to_ab.o a - oed__xyz_derv_pcgto_block.o a - oed__xyz_e0_def_blocks.o a - oed__xyz_e0_pcgto_block.o a - oed__xyz_init_00_ints.o a - oed__xyz_init_ovrlp.o a - oed__xyz_int1d_to_e0.o a - oed__xyz_mom_integrals.o a - oed__xyz_set_ab.o a - oed__xyz_set_derv_ab.o a - oed__xyz_set_derv_sequence.o a - oed__xyz_to_ry_ab.o a - oed__xyz_to_ry_abc.o a - oed__xyz_to_ry_matrix.o cp liboedlib.a ../../../../../lib/liboed.a rm -f make.out make.err make[6]: Leaving directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/oed' make[6]: Entering directory '/build/aces3-YQ2bJK/aces3-3.0.8/src/aces/aces_library/special_directory/oed_F12' rm -f make.out make.err mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O0 -Wall -fno-aggressive-loop-optimizations -ffunction-sections -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include module.F90 f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] module.F90:3:27: 3 | double precision w(32400) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:2:27: 2 | double precision x(32400) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:8:27: 8 | double precision w(64800) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:7:27: 7 | double precision x(64800) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:13:27: 13 | double precision w(97200) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:12:27: 12 | double precision x(97200) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:18:27: 18 | double precision w(78400) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:17:27: 17 | double precision x(78400) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:23:27: 23 | double precision w(98000) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:22:27: 22 | double precision x(98000) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:28:28: 28 | double precision w(117600) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:27:28: 27 | double precision x(117600) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:33:28: 33 | double precision w(137200) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:32:28: 32 | double precision x(137200) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:38:28: 38 | double precision w(259200) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:37:28: 37 | double precision x(259200) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:43:28: 43 | double precision w(291600) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:42:28: 42 | double precision x(291600) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:48:28: 48 | double precision w(196000) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:47:28: 47 | double precision x(196000) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:53:28: 53 | double precision w(215600) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:52:28: 52 | double precision x(215600) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:58:28: 58 | double precision w(235200) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:57:28: 57 | double precision x(235200) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:63:28: 63 | double precision w(254800) | 1 Warning: Array ‘w’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] module.F90:62:28: 62 | double precision x(254800) | 1 Warning: Array ‘x’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__gener_nai_batch_f12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ftable.inc:60:53: 60 | DOUBLE PRECISION FTABLE (0:MGRID,0:NGRID) | 1 Warning: Array ‘ftable’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__gener_nai_batch_new.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ftable.inc:60:53: 60 | DOUBLE PRECISION FTABLE (0:MGRID,0:NGRID) | 1 Warning: Array ‘ftable’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__gener_nai_derv_f12_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ftable.inc:60:53: 60 | DOUBLE PRECISION FTABLE (0:MGRID,0:NGRID) | 1 Warning: Array ‘ftable’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__gener_nai_derv_f12g_batch.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__ftable.inc:60:53: 60 | DOUBLE PRECISION FTABLE (0:MGRID,0:NGRID) | 1 Warning: Array ‘ftable’ at (1) is larger than limit set by ‘-fmax-stack-var-size=’, moved from stack to static storage. This makes the procedure unsafe when called recursively, or concurrently from multiple threads. Consider increasing the ‘-fmax-stack-var-size=’ limit (or use ‘-frecursive’, which implies unlimited ‘-fmax-stack-var-size’) - or change the code to use an ALLOCATABLE array. If the variable is never accessed concurrently, this warning can be ignored, and the variable could also be declared with the SAVE attribute. [-Wsurprising] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_1d_derv_f12_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_1d_derv_f12_integrals.F:291:4: 291 | 5555 continue | 1 Warning: Label 5555 at (1) defined but not used [-Wunused-label] oed__nai_1d_derv_f12_integrals.F:123:28: 123 | DOUBLE PRECISION C,X | 1 Warning: Unused variable ‘c’ declared at (1) [-Wunused-variable] oed__nai_1d_derv_f12_integrals.F:6:42: 6 | + DERA,DERB,DERC, | 1 Warning: Unused dummy argument ‘derc’ at (1) [-Wunused-dummy-argument] oed__nai_1d_derv_f12_integrals.F:7:46: 7 | + EXP2A,EXP2B,EXP2AB, | 1 Warning: Unused dummy argument ‘exp2ab’ at (1) [-Wunused-dummy-argument] oed__nai_1d_derv_f12_integrals.F:124:31: 124 | DOUBLE PRECISION F,F1,F2 | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] oed__nai_1d_derv_f12_integrals.F:124:34: 124 | DOUBLE PRECISION F,F1,F2 | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] oed__nai_1d_derv_f12_integrals.F:116:21: 116 | INTEGER IJ,NG | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] oed__nai_1d_derv_f12_integrals.F:117:22: 117 | INTEGER IXC | 1 Warning: Unused variable ‘ixc’ declared at (1) [-Wunused-variable] oed__nai_1d_derv_f12_integrals.F:113:24: 113 | INTEGER A,B,M,N | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] oed__nai_1d_derv_f12_integrals.F:116:24: 116 | INTEGER IJ,NG | 1 Warning: Unused variable ‘ng’ declared at (1) [-Wunused-variable] oed__nai_1d_derv_f12_integrals.F:4:32: 4 | + NGQP,NGQPCEN, | 1 Warning: Unused dummy argument ‘ngqp’ at (1) [-Wunused-dummy-argument] oed__nai_1d_derv_f12_integrals.F:4:40: 4 | + NGQP,NGQPCEN, | 1 Warning: Unused dummy argument ‘ngqpcen’ at (1) [-Wunused-dummy-argument] oed__nai_1d_derv_f12_integrals.F:120:22: 120 | INTEGER OFF | 1 Warning: Unused variable ‘off’ declared at (1) [-Wunused-variable] oed__nai_1d_derv_f12_integrals.F:130:41: 130 | DOUBLE PRECISION P (1:MIJ) | 1 Warning: Unused variable ‘p’ declared at (1) [-Wunused-variable] oed__nai_1d_derv_f12_integrals.F:131:45: 131 | DOUBLE PRECISION RTS (1:MGIJCEN) | 1 Warning: Unused variable ‘rts’ declared at (1) [-Wunused-variable] oed__nai_1d_derv_f12_integrals.F:132:44: 132 | DOUBLE PRECISION TEMP (1:MGQPIJ) | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] oed__nai_1d_derv_f12_integrals.F:123:30: 123 | DOUBLE PRECISION C,X | 1 Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_1d_derv_integrals.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_csgto_f12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_csgto_f12.F:991:72: 991 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_def_blocks_f12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_derv_def_blocks_f12.F:426:22: 426 | POW2IJ = DLOG ( DFLOAT (MIJ) ) / DLOG2 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_f12_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_derv_f12_csgto.F:999:72: 999 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_f12g_csgto.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_derv_f12g_csgto.F:999:72: 999 | + | ^ Warning: ‘zcnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_int1d_to_00_f12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_int1d_to_a0_f12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_int1d_to_ab_f12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_derv_int1d_to_ab_f12.F:83:24: 83 | INTEGER I,J,K,M,N | ^ Warning: ‘j’ may be used uninitialized in this function [-Wmaybe-uninitialized] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_pcgto_block_f12.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_derv_pcgto_block_f12.F:35:42: 35 | + RYSGEN,CORETOP,RYSDATA,RYSDATA1, | 1 Warning: Unused dummy argument ‘coretop’ at (1) [-Wunused-dummy-argument] oed__nai_derv_pcgto_block_f12.F:34:36: 34 | + INT1DX_2,INT1DY_2,INT1DZ_2,STGEXP, | 1 Warning: Unused dummy argument ‘int1dx_2’ at (1) [-Wunused-dummy-argument] oed__nai_derv_pcgto_block_f12.F:34:45: 34 | + INT1DX_2,INT1DY_2,INT1DZ_2,STGEXP, | 1 Warning: Unused dummy argument ‘int1dy_2’ at (1) [-Wunused-dummy-argument] oed__nai_derv_pcgto_block_f12.F:34:54: 34 | + INT1DX_2,INT1DY_2,INT1DZ_2,STGEXP, | 1 Warning: Unused dummy argument ‘int1dz_2’ at (1) [-Wunused-dummy-argument] oed__nai_derv_pcgto_block_f12.F:12:39: 12 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘xb’ at (1) [-Wunused-dummy-argument] oed__nai_derv_pcgto_block_f12.F:12:42: 12 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘yb’ at (1) [-Wunused-dummy-argument] oed__nai_derv_pcgto_block_f12.F:12:45: 12 | + XA,YA,ZA,XB,YB,ZB, | 1 Warning: Unused dummy argument ‘zb’ at (1) [-Wunused-dummy-argument] mpif77 -c -DMPIF2C -DMPI2 -DC_SUFFIX -DCB_SUFFIX -D__fortran -D__fortran77 -g -O2 -Wall -fno-aggressive-loop-optimizations -fallow-invalid-boz -fallow-argument-mismatch -I../../../../sia/include -I../aces2/include -I$MPIHOME/include oed__nai_derv_pcgto_block_f12g.F f951: Warning: Nonexistent include directory ‘../aces2/include’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/include’ [-Wmissing-include-dirs] oed__nai_derv_pcgto_block_f12g.F:35:42: 35 | + RYSGEN,CORETOP,RYSDATA,RYSDATA1, | 1 Warning: Unused dummy argument ‘coretop’ at (1) [-Wunused-dummy-argument] oed__nai_derv_pcgto_block_f12g.F:34:36: 34 | + INT1DX_2,INT1DY_2,INT1DZ_2,STGEXP, | 1 Warning: Un